Geometry & MOs

Info

ID:	195184
PubChem CID:	78651697
Reduced:	BrON2H15C18 (1)
Stoich.:	ABC2D15E18 (1)
Weight, g/mol:	326.082205
ΔH_f, kcal/mol:	43.23
Dipole, Da:	4.09
IP(EA), eV:	-8.89(-1.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)NC(=O)C(=CC2=CC(=CC=C2)Br)C#N)C

DOS

IR

Vibrations