Geometry & MOs

Info

ID:	218901
PubChem CID:	85090136
Reduced:	N2Cl5H19C25 (1)
Stoich.:	A2B5C19D25 (1)
Weight, g/mol:	524.315127
ΔH_f, kcal/mol:	159.8
Dipole, Da:	3.22
IP(EA), eV:	-8.68(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

11,16-diethyl-22-(3-hydroxypropyl)-12,17,21,26-tetramethyl-7,23,24,25-tetrazahexacyclo[18.2.1.15,8.110,13.115,18.02,6]hexacosa-1(23),2(6),5(26),7,9,11,13,15,17,19-decaen-4-ol

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

C1C2C3C(C1C4=C2C(=NN4C5=CC=CC=C5)C6=CC=CC=C6)C7(C(C(C3(C7Cl)Cl)Cl)Cl)Cl

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

C1C2C3C(C1C4=C2C(=NN4C5=CC=CC=C5)C6=CC=CC=C6)C7(C(C(C3(C7Cl)Cl)Cl)Cl)Cl

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):