Geometry & MOs

Info

ID:

299318

PubChem CID:

117682613

Reduced:

N3H31C52 (1)

Stoich.:

A3B31C52 (1)

Weight, g/mol:

621.220498

ΔHf, kcal/mol:

269.02

Dipole, Da:

1.25

IP(EA), eV:

 -8.31(-1.23)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5-(3-phenanthro[9,10-b]pyrazin-3-ylphenyl)-10-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=C(C=C2)C4=NC=C(N=C4C5=C3C=C(C=C5)C6=CC=CC=C6)C7=CC=CC(=C7)C8=CC9=C(C=C8)N1C2=CC=CC=C2C2=C1C9=CC=C2

DOS

IR

Vibrations