Geometry & MOs

Info

ID:	52532
PubChem CID:	12015429
Reduced:	NOH15C25 (2)
Stoich.:	ABC15D25 (2)
Weight, g/mol:	452.156501
ΔH_f, kcal/mol:	395.73
Dipole, Da:	5.09
IP(EA), eV:	-8.59(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

nonacyclo[17.15.1.12,18.03,8.09,28.011,26.012,17.020,25.029,34]hexatriaconta-1(35),2(36),3,5,7,9,11(26),12,14,16,18,20,22,24,27,29,31,33-octadecaene

Drug info:

PubChemData

Geometry & MOs

Info

ID:

PubChem CID:

Reduced:

Stoich.:

Weight, g/mol:

ΔH_f, kcal/mol:

Dipole, Da:

IP(EA), eV:

Spin(S_z, S²):

Charge, e:

Chem-info

IUPAC name:

Drug info:

Smile

C1=CC=C(C=C1)N2C3C4=C5C(C2=O)C6=C3C7=CC=CC=C7C8=C(C9C(=C(C8C(=O)N9C1=CC=CC=C1)C1=CC=CC=C14)C1=CC=CC=C15)C1=CC=CC=C16

DOS

IR

Vibrations

Geometry & MOs

Info

ID:

PubChem CID:

Reduced:

Stoich.:

Weight, g/mol:

ΔHf, kcal/mol:

Dipole, Da:

IP(EA), eV:

Spin(Sz, S2):

Charge, e:

Chem-info

IUPAC name:

Drug info:

Smile

C1=CC=C(C=C1)N2C3C4=C5C(C2=O)C6=C3C7=CC=CC=C7C8=C(C9C(=C(C8C(=O)N9C1=CC=CC=C1)C1=CC=CC=C14)C1=CC=CC=C15)C1=CC=CC=C16

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):