Geometry & MOs

Info

ID:

427781

PubChem CID:

135162734

Reduced:

N3H39C55 (1)

Stoich.:

A3B39C55 (1)

Weight, g/mol:

855.336196

ΔHf, kcal/mol:

235.04

Dipole, Da:

4.85

IP(EA), eV:

 -8.1(-0.71)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

9-[4-(1-phenylbenzimidazol-2-yl)phenyl]-19-[4-(3-phenyl-1,2-dihydrobenzimidazol-2-yl)phenyl]-9-azahexacyclo[15.8.0.02,10.03,8.011,16.020,25]pentacosa-1(17),2(10),3,5,7,11,13,15,18,20,22,24-dodecaene

Drug info:

PubChemData

Smile

CC1CC2=C3C=C(C4=CC=CC=C4C3=C5C6=CC=CC=C6N(C5=C2C=C1)C7=CC=CC=C7)C8=NC(C=C(N8)C9=CC1=CC=CC=C1C=C9)C1=CC2=CC=CC=C2C=C1

DOS

IR

Vibrations