Geometry & MOs

Info

ID:

299316

PubChem CID:

117682606

Reduced:

NH9C14 (3)

Stoich.:

AB9C14 (3)

Weight, g/mol:

697.251798

ΔHf, kcal/mol:

202.33

Dipole, Da:

1.53

IP(EA), eV:

 -8.32(-0.99)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5-[3-(6,11-diphenylphenanthro[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

CC1=CC2=C(C=C1)C3=NC=C(N=C3C4=C2C=C(C=C4)C)C5=CC=C(C=C5)C6=CC7=C(C=C6)N8C9=CC=CC=C9C1=C8C7=CC=C1

DOS

IR

Vibrations