Geometry & MOs

Info

ID:

299322

PubChem CID:

117682641

Reduced:

N3H23C40 (1)

Stoich.:

A3B23C40 (1)

Weight, g/mol:

621.220498

ΔHf, kcal/mol:

221.6

Dipole, Da:

1.32

IP(EA), eV:

 -8.34(-1.11)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5-[3-(3-phenanthro[9,10-b]pyrazin-6-ylphenyl)phenyl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C3=C(C=CC(=C3)C4=CC(=CC=C4)C5=CC6=C(C=C5)N7C8=CC=CC=C8C9=C7C6=CC=C9)C1=NC=CN=C21

DOS

IR

Vibrations