Geometry & MOs

Info

ID:	195182
PubChem CID:	78651695
Reduced:	ClFON2H14C18 (1)
Stoich.:	ABCD2E14F18 (1)
Weight, g/mol:	342.117984
ΔH_f, kcal/mol:	-13.25
Dipole, Da:	5.56
IP(EA), eV:	-9.16(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-cyano-3-[2-(difluoromethoxy)phenyl]-N-(2,3-dimethylphenyl)prop-2-enamide

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)NC(=O)C(=CC2=C(C=CC=C2Cl)F)C#N)C

DOS

IR

Vibrations