Geometry & MOs

Info

ID:	194178
PubChem CID:	78494041
Reduced:	FNO3C20H20 (1)
Stoich.:	ABC3D20E20 (1)
Weight, g/mol:	347.05605
ΔH_f, kcal/mol:	-144.18
Dipole, Da:	5.82
IP(EA), eV:	-9.38(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3-chloro-4,5-dimethoxyphenyl)-1-(3-nitrophenyl)prop-2-en-1-one

Drug info:

PubChemData

Smile

CC(C(=O)NC1CCCC2=CC=CC=C12)OC(=O)C3=CC=CC=C3F

DOS

IR

Vibrations