Geometry & MOs

Info

ID:	377848
PubChem CID:	134223913
Reduced:	ON3H25C26 (1)
Stoich.:	AB3C25D26 (1)
Weight, g/mol:	630.241962
ΔH_f, kcal/mol:	106.34
Dipole, Da:	8.2
IP(EA), eV:	-8.35(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(6Z)-2,4-bis(3-pyridin-3-ylphenyl)-6-[6-(3-pyridin-3-ylphenyl)-1H-pyridin-2-ylidene]cyclohexa-2,4-dien-1-one

Drug info:

PubChemData

Smile

C/C=C\C(=C\1/C=CC=CC1=O)\NN/C(=C\C(=NC)C2=CC=CC=C2)/C3=CC=CC=C3

DOS

IR

Vibrations