Geometry & MOs

Info

ID:	377984
PubChem CID:	134224051
Reduced:	ON5H21C31 (1)
Stoich.:	AB5C21D31 (1)
Weight, g/mol:	477.184112
ΔH_f, kcal/mol:	158.65
Dipole, Da:	7.13
IP(EA), eV:	-8.16(-1.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(6E)-6-[6-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-1H-pyridin-2-ylidene]cyclohexa-2,4-dien-1-one

Drug info:

PubChemData

Smile

C1=C/C(=C\2/C=CC=C(N2)C3=CC=CC(=C3)C4=CC(=NC(=N4)C5=CN=CC=C5)C6=CN=CC=C6)/C(=O)C=C1

DOS

IR

Vibrations