Geometry & MOs

Info

ID:	267361
PubChem CID:	103582004
Reduced:	BrNOC12H14 (1)
Stoich.:	ABCD12E14 (1)
Weight, g/mol:	281.04153
ΔH_f, kcal/mol:	-23.25
Dipole, Da:	4.38
IP(EA), eV:	-8.82(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-bromo-3,5-dimethylphenyl)-3-methylbut-2-enamide

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1Br)C)NC(=O)C2CC2

DOS

IR

Vibrations