Geometry & MOs

Info

ID:

299324

PubChem CID:

117682645

Reduced:

N3H33C59 (1)

Stoich.:

A3B33C59 (1)

Weight, g/mol:

545.189198

ΔHf, kcal/mol:

306.28

Dipole, Da:

1.2

IP(EA), eV:

 -8.27(-1.1)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

10-(4-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=C(C=CC(=C3)C4=CC5=C(C=C4)C6=C(C57C8=CC=CC=C8C9=CC=CC=C79)C=C(C=C6)C1=CC3=C(C=C1)N1C4=CC=CC=C4C4=C1C3=CC=C4)C1=NC=CN=C21

DOS

IR

Vibrations