Geometry & MOs

Info

ID:	377983
PubChem CID:	134224050
Reduced:	ON3H23C33 (1)
Stoich.:	AB3C23D33 (1)
Weight, g/mol:	479.17461
ΔH_f, kcal/mol:	137.92
Dipole, Da:	10.71
IP(EA), eV:	-8.04(-1.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=CC(=NC(=N2)C3=CC=C(C=C3)C4=CC=C/C(=C\5/C=CC=CC5=O)/N4)C6=CC=CC=C6

DOS

IR

Vibrations