Geometry & MOs

Info

ID:

299325

PubChem CID:

117682647

Reduced:

N3H23C40 (1)

Stoich.:

A3B23C40 (1)

Weight, g/mol:

545.189198

ΔHf, kcal/mol:

222.56

Dipole, Da:

1.05

IP(EA), eV:

 -8.35(-1.12)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

10-(3-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=C2C(=C1)C3=CC=CC=C3C4=NC(=CN=C24)C5=CC=C(C=C5)C6=CC7=C8C(=C6)C9=CC=CC=C9N8C1=CC=CC=C17

DOS

IR

Vibrations