Geometry & MOs

Info

ID:

299326

PubChem CID:

117682648

Reduced:

N3H23C40 (1)

Stoich.:

A3B23C40 (1)

Weight, g/mol:

697.251798

ΔHf, kcal/mol:

223.39

Dipole, Da:

1.36

IP(EA), eV:

 -8.32(-1.22)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5-(3-phenanthro[9,10-b]pyrazin-10-ylphenyl)-10,15-diphenyl-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13(18),14,16-nonaene

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C3=CC=CC=C3C4=NC(=CN=C24)C5=CC=CC(=C5)C6=CC7=C8C(=C6)C9=CC=CC=C9N8C1=CC=CC=C17

DOS

IR

Vibrations