Geometry & MOs

Info

ID:	268336
PubChem CID:	103598967
Reduced:	FN2O5H15C17 (1)
Stoich.:	AB2C5D15E17 (1)
Weight, g/mol:	380.057527
ΔH_f, kcal/mol:	-105.85
Dipole, Da:	6.26
IP(EA), eV:	-8.57(-1.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-chloro-2,5-dimethoxyphenyl)-3-(4-fluoro-2-nitrophenyl)prop-2-enamide

Drug info:

PubChemData

Smile

COC1=CC(=C(C=C1)OC)NC(=O)C=CC2=C(C=C(C=C2)F)[N+](=O)[O-]

DOS

IR

Vibrations