Geometry & MOs

Info

ID:	164283
PubChem CID:	74382710
Reduced:	ClOF2N2H13C18 (1)
Stoich.:	ABC2D2E13F18 (1)
Weight, g/mol:	326.123069
ΔH_f, kcal/mol:	-53.17
Dipole, Da:	4.86
IP(EA), eV:	-9.68(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-cyano-3-(2,6-difluoro-3-methylphenyl)-N-(1-phenylethyl)prop-2-enamide

Drug info:

PubChemData

Smile

CC(C1=CC=CC=C1)NC(=O)C(=CC2=C(C=CC(=C2F)Cl)F)C#N

DOS

IR

Vibrations