Geometry & MOs

Info

ID:

311230

PubChem CID:

126589989

Reduced:

N3H37C55 (1)

Stoich.:

A3B37C55 (1)

Weight, g/mol:

718.334799

ΔHf, kcal/mol:

258.08

Dipole, Da:

4.67

IP(EA), eV:

 -8.07(-0.97)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

6-[4-[9-(5-phenylcyclohexa-1,3-dien-1-yl)-4b,8a-dihydrocarbazol-3-yl]phenyl]-9-(3-phenylphenyl)-4a,9a-dihydrocarbazole

Drug info:

PubChemData

Smile

C1CC(=CC=C1C2=CC=CC=C2)N3C4=C(C=C(C=C4)C5=CC=C(C=C5)C6=CC7=C(C=C6)N(C8=CC=CC=C87)C9=CC=CC(=C9)C1=CC=C(C=C1)C#N)C1=CC=CC=C13

DOS

IR

Vibrations