Geometry & MOs

Info

ID:	377846
PubChem CID:	134223911
Reduced:	ON3H29C40 (1)
Stoich.:	AB3C29D40 (1)
Weight, g/mol:	402.148061
ΔH_f, kcal/mol:	164.19
Dipole, Da:	1.19
IP(EA), eV:	-8.79(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(6Z)-2-(6-pyridin-2-ylpyridin-2-yl)-6-(6-pyridin-2-yl-1H-pyridin-2-ylidene)cyclohexa-2,4-dien-1-one

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)COC2=CC=CC=C2C3=NC=C(C=C3)C4=CC(=CC=C4)C5=NC(=CC(=N5)C6=CC=CC=C6)C7=CC=CC=C7

DOS

IR

Vibrations