Geometry & MOs

Info

ID:	378545
PubChem CID:	134224634
Reduced:	NH13C16 (2)
Stoich.:	AB13C16 (2)
Weight, g/mol:	625.251798
ΔH_f, kcal/mol:	104.1
Dipole, Da:	2.09
IP(EA), eV:	-7.76(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N,N-diphenyl-4-(22-phenyl-12,22-diazahexacyclo[11.11.0.02,11.05,10.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16(21),17,19,23-undecaen-18-yl)aniline

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

CC(C)(C)C1=CC=C(C=C1)N2C3=C(C4=CC=CC=C4C=C3)C5=CC6=C(C=C52)C7=CC=CC=C7N6

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

CC(C)(C)C1=CC=C(C=C1)N2C3=C(C4=CC=CC=C4C=C3)C5=CC6=C(C=C52)C7=CC=CC=C7N6

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):