Geometry & MOs

Info

ID:

442996

PubChem CID:

135257347

Reduced:

N5C38H41 (1)

Stoich.:

A5B38C41 (1)

Weight, g/mol:

641.351846

ΔHf, kcal/mol:

171.24

Dipole, Da:

0.44

IP(EA), eV:

 -7.78(-0.09)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

9-[4-[4-(1-methyl-3,4,4a,5,6,8a-hexahydro-2H-1,7-naphthyridin-2-yl)phenyl]phenyl]-N,N-diphenyl-2,3,4,4a-tetrahydropyrido[2,3-b]indol-6-amine

Drug info:

PubChemData

Smile

CN1CCC(C2C1NCC=C2)C3=CC=C(C=C3)N4C5C(CCCN5)C6=C4C=CC(=C6)N(C7=CC=CC=C7)C8=CC=CC=C8

DOS

IR

Vibrations