Geometry & MOs

Info

ID:

443010

PubChem CID:

135257394

Reduced:

N5H41C54 (1)

Stoich.:

A5B41C54 (1)

Weight, g/mol:

643.367496

ΔHf, kcal/mol:

233.56

Dipole, Da:

3.23

IP(EA), eV:

 -7.93(-0.8)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-(4-carbazol-9-ylphenyl)-9-[4-(1-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-1,8-naphthyridin-4-yl)phenyl]-1,2,3,4,4a,9a-hexahydropyrido[3,4-b]indole

Drug info:

PubChemData

Smile

CC1(C2=CC=CC=C2C3=C1C=C4C(=C3)C5=CC=CC=C5N4C6=CC7=C(C=C6)N(C8=CC=CC=C87)C9=CC=C(C=C9)C1NC(N=C(N1)C1=CC=CC=C1)C1=CC=CC=C1)C

DOS

IR

Vibrations