Geometry & MOs

Info

ID:	377832
PubChem CID:	134223897
Reduced:	ON3H25C31 (1)
Stoich.:	AB3C25D31 (1)
Weight, g/mol:	349.121512
ΔH_f, kcal/mol:	130.08
Dipole, Da:	2.04
IP(EA), eV:	-8.53(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4Z)-4-(1H-1,10-phenanthrolin-2-ylidene)-2-pyridin-2-ylcyclohexa-2,5-dien-1-one

Drug info:

PubChemData

Smile

C/C=C\C1=C(C2=C(C=C1)C=CC(=N2)C3=CC(=C(C=C3)OCC4=CC=CC=C4)C5=CC=CC=N5)N=C

DOS

IR

Vibrations