Geometry & MOs

Info

ID:

299321

PubChem CID:

117682630

Reduced:

N3H25C41 (1)

Stoich.:

A3B25C41 (1)

Weight, g/mol:

545.189198

ΔHf, kcal/mol:

213.34

Dipole, Da:

0.95

IP(EA), eV:

 -8.32(-1.05)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5-(3-phenanthro[9,10-b]pyrazin-10-ylphenyl)-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

CC1=C(N=C2C3=CC=CC=C3C4=CC=CC=C4C2=N1)C5=CC=C(C=C5)C6=CC7=C(C=C6)N8C9=CC=CC=C9C1=C8C7=CC=C1

DOS

IR

Vibrations