Geometry & MOs

Info

ID:	195179
PubChem CID:	78651664
Reduced:	OCl2N2H12C17 (1)
Stoich.:	AB2C2D12E17 (1)
Weight, g/mol:	351.998175
ΔH_f, kcal/mol:	27.94
Dipole, Da:	4.32
IP(EA), eV:	-9.18(-1.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-cyano-N-(2,4-dichlorophenyl)-3-(2,6-difluorophenyl)prop-2-enamide

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)C=C(C#N)C(=O)NC2=C(C=C(C=C2)Cl)Cl

DOS

IR

Vibrations