Geometry & MOs

Info

ID:

299319

PubChem CID:

117682621

Reduced:

N3H27C46 (1)

Stoich.:

A3B27C46 (1)

Weight, g/mol:

621.220498

ΔHf, kcal/mol:

246.07

Dipole, Da:

0.77

IP(EA), eV:

 -8.31(-1.17)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5-[4-(4-phenanthro[9,10-b]pyrazin-3-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=C(C=C1)C2=CC3=C4C(=C2)C5=C(N4C6=CC=CC=C63)C=CC(=C5)C7=CC(=CC=C7)C8=CN=C9C1=CC=CC=C1C1=CC=CC=C1C9=N8

DOS

IR

Vibrations