Geometry & MOs

Info

ID:	182835
PubChem CID:	76943296
Reduced:	NOC5H6 (2)
Stoich.:	ABC5D6 (2)
Weight, g/mol:	349.01137
ΔH_f, kcal/mol:	-27.85
Dipole, Da:	4.23
IP(EA), eV:	-10.06(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-bromo-5-methoxyphenyl)-3-(4-fluorophenyl)prop-2-enamide

Drug info:

PubChemData

Smile

CC1CC1NC(=O)C2C=CC(=O)N=C2

DOS

IR

Vibrations