Geometry & MOs

Info

ID:

436007

PubChem CID:

135193325

Reduced:

N3H25C41 (1)

Stoich.:

A3B25C41 (1)

Weight, g/mol:

537.195346

ΔHf, kcal/mol:

212.13

Dipole, Da:

3.1

IP(EA), eV:

 -8.27(-0.85)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

14-[4-(1,10-phenanthrolin-2-yl)phenyl]-1,14,16-triazapentacyclo[13.7.0.02,7.08,13.017,22]docosa-2,4,6,8,10,12,15,17,19,21-decaene

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C3=CC=CC=C3C4=C2C=C(C5=CC=CC=C54)N6C7=CC=CC=C7C8=CC=CC=C8N9C6=NC1=CC=CC=C19

DOS

IR

Vibrations