Geometry & MOs

Info

ID:

426233

PubChem CID:

135142820

Reduced:

N4H36C39 (1)

Stoich.:

A4B36C39 (1)

Weight, g/mol:

636.325297

ΔHf, kcal/mol:

224.48

Dipole, Da:

0.72

IP(EA), eV:

 -8.21(-0.44)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

15-[4-[3-(3-phenylphenyl)-1,2-dihydroquinoxalin-2-yl]cyclohexa-1,5-dien-1-yl]-14,16-diazapentacyclo[12.6.1.02,7.08,13.017,21]henicosa-1(21),2(7),8,10,12,17-hexaene

Drug info:

PubChemData

Smile

C1CC(=CC=C1)C2=NC3=C(C=CC(N3)C4=CCC(C=C4)C5NC6=CC=CC7C6N5C8=CC=CC=C8C9C7C=CC=C9)C=C2

DOS

IR

Vibrations