Geometry & MOs

Info

ID:

299320

PubChem CID:

117682622

Reduced:

N3H27C46 (1)

Stoich.:

A3B27C46 (1)

Weight, g/mol:

559.204848

ΔHf, kcal/mol:

246.35

Dipole, Da:

1.36

IP(EA), eV:

 -8.37(-1.14)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5-[4-(2-methylphenanthro[9,10-b]pyrazin-3-yl)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=CC=CC=C3C4=NC(=CN=C24)C5=CC=C(C=C5)C6=CC=C(C=C6)C7=CC8=C(C=C7)N9C1=CC=CC=C1C1=C9C8=CC=C1

DOS

IR

Vibrations