Geometry & MOs

Info

ID:	166102
PubChem CID:	74637784
Reduced:	FNO2C19H20 (1)
Stoich.:	ABC2D19E20 (1)
Weight, g/mol:	396.9975
ΔH_f, kcal/mol:	-87.27
Dipole, Da:	2.62
IP(EA), eV:	-8.9(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3-fluoro-4-methoxyphenyl)-N-(2-iodophenyl)prop-2-enamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=C1)C)NC(=O)C=CC2=CC(=C(C=C2)OC)F)C

DOS

IR

Vibrations