Geometry & MOs

Info

ID:

299327

PubChem CID:

117682649

Reduced:

N3H31C52 (1)

Stoich.:

A3B31C52 (1)

Weight, g/mol:

573.220498

ΔHf, kcal/mol:

268.2

Dipole, Da:

0.94

IP(EA), eV:

 -8.33(-1.12)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

10-(2,5-dimethyl-4-phenanthro[9,10-b]pyrazin-3-ylphenyl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=CC3=C(C=C2)N4C5=C(C=C(C=C5)C6=CC=CC(=C6)C7=CC8=C(C=C7)C9=NC=CN=C9C1=CC=CC=C18)C1=CC(=CC3=C14)C1=CC=CC=C1

DOS

IR

Vibrations