Geometry & MOs

Info

ID:	194494
PubChem CID:	78545313
Reduced:	ClF2N3O3H16C19 (1)
Stoich.:	AB2C3D3E16F19 (1)
Weight, g/mol:	310.087291
ΔH_f, kcal/mol:	-186.35
Dipole, Da:	7.64
IP(EA), eV:	-8.87(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-chloro-2-methylphenyl)-2-cyano-3-(4-methylphenyl)prop-2-enamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)Cl)NC(=O)CN2C(=O)C(NC2=O)(C)C3=C(C=CC(=C3)F)F

DOS

IR

Vibrations