Geometry & MOs

Info

ID:

377596

PubChem CID:

134223657

Reduced:

O2N3H27C49 (1)

Stoich.:

A2B3C27D49 (1)

Weight, g/mol:

690.267114

ΔHf, kcal/mol:

191.04

Dipole, Da:

3.52

IP(EA), eV:

 -8.17(-1.03)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-(14,14-dimethyl-9-phenyl-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-5-yl)-5-phenyl-[1]benzofuro[3,2-c]carbazole

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)N2C3=C(C=C(C=C3)C4=CC5=C(C=C4)N(C6=C5C=C7C8=CC=CC=C8OC7=C6)C9=CC=CC(=C9)C#N)C1=C2C=C2C(=C1)C1=CC=CC=C1O2

DOS

IR

Vibrations