Geometry & MOs

Info

ID:

449706

PubChem CID:

135300804

Reduced:

ON2C15H16 (1)

Stoich.:

AB2C15D16 (1)

Weight, g/mol:

1075.486549

ΔHf, kcal/mol:

36.13

Dipole, Da:

13.8

IP(EA), eV:

 -7.69(-1.17)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

9-[4-(6-dodecacyclo[29.15.1.11,14.116,29.131,44.02,7.08,13.016,47.017,22.023,28.032,37.038,43]pentaconta-2,4,6,8,10,12,17,19,21,23,25,27,32,34,36,38,40,42-octadecaenyl)phenyl]-2-(1-phenylbenzimidazol-2-yl)carbazole

Drug info:

PubChemData

Smile

CCNC1=CN/C(=C/C=C2C=CC(=O)C=C2)/C=C1

DOS

IR

Vibrations