Geometry & MOs

Info

ID:	393968
PubChem CID:	135022062
Reduced:	ClO2N3C15H16 (1)
Stoich.:	AB2C3D15E16 (1)
Weight, g/mol:	281.141579
ΔH_f, kcal/mol:	37.1
Dipole, Da:	6.52
IP(EA), eV:	-9.07(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-methoxy-3-prop-2-enylphenyl)-5-prop-2-enyl-1H-pyridin-2-one

Drug info:

PubChemData

Smile

CC/C(=C(/C#N)\C1=C(C=CC(=C1)Cl)[N+](=O)[O-])/N2CCCC2

DOS

IR

Vibrations