Geometry & MOs

Info

ID:	166103
PubChem CID:	74637785
Reduced:	FINO2H13C16 (1)
Stoich.:	ABCD2E13F16 (1)
Weight, g/mol:	325.072591
ΔH_f, kcal/mol:	-46.29
Dipole, Da:	3.38
IP(EA), eV:	-8.93(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3-fluoro-4-methoxyphenyl)-N-(2,3,4-trifluorophenyl)prop-2-enamide

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)C=CC(=O)NC2=CC=CC=C2I)F

DOS

IR

Vibrations