Geometry & MOs

Info

ID:

320266

PubChem CID:

126659090

Reduced:

N5H39C64 (1)

Stoich.:

A5B39C64 (1)

Weight, g/mol:

776.319149

ΔHf, kcal/mol:

336.25

Dipole, Da:

6.52

IP(EA), eV:

 -8.28(-1.54)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-[4-(7,16-diphenyl-25-heptacyclo[18.7.1.02,19.04,17.05,14.08,13.024,28]octacosa-1(28),2,4(17),6,8,10,12,15,18,20,22,24,26-tridecaenyl)phenyl]-2-phenyl-1,2-dihydrobenzimidazole

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C#N)C2=CC3=C4C=C5C6=C7C(=C(C=C6)C8=CC=C(C=C8)N9C(NC1=CC=CC=C19)C1=CC=CC=C1)C=CC=C7C5=CC4=C(C=C3C1=C2C=C(C=C1)C#N)C1=C(C=C(C=C1)C#N)C

DOS

IR

Vibrations