Geometry & MOs

Info

ID:

436008

PubChem CID:

135193326

Reduced:

N5H23C37 (1)

Stoich.:

A5B23C37 (1)

Weight, g/mol:

613.226646

ΔHf, kcal/mol:

225.96

Dipole, Da:

3.92

IP(EA), eV:

 -8.35(-0.94)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

14-[4-(9-phenyl-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=C3N4C5=CC=CC=C5N=C4N2C6=CC=C(C=C6)C7=NC8=C(C=CC9=C8N=CC=C9)C=C7

DOS

IR

Vibrations