Geometry & MOs

Info

ID:	195183
PubChem CID:	78651696
Reduced:	F2N2O2H16C19 (1)
Stoich.:	A2B2C2D16E19 (1)
Weight, g/mol:	354.03678
ΔH_f, kcal/mol:	-106.69
Dipole, Da:	5.21
IP(EA), eV:	-9.18(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3-bromophenyl)-2-cyano-N-(2,3-dimethylphenyl)prop-2-enamide

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)NC(=O)C(=CC2=CC=CC=C2OC(F)F)C#N)C

DOS

IR

Vibrations