Geometry & MOs

Info

ID:

320271

PubChem CID:

126659119

Reduced:

N7C20H45 (1)

Stoich.:

A7B20C45 (1)

Weight, g/mol:

636.12011

ΔHf, kcal/mol:

-34.61

Dipole, Da:

0.78

IP(EA), eV:

 -8.86(0.8)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-[(21E)-21-(1-bromoethylidene)-13-(4-cyanophenyl)-23-methyl-4-hexacyclo[12.11.0.02,11.05,10.016,24.017,22]pentacosa-1,3,5,7,9,11,13,15,17,19,22,24-dodecaenyl]benzonitrile

Drug info:

PubChemData

Smile

CC(C)NCCCCCCN=C(N)NC(=NC(C)(C)CCCCCCN)N

DOS

IR

Vibrations