Geometry & MOs

Info

ID:	270961
PubChem CID:	103639011
Reduced:	BrN2O2H13C14 (1)
Stoich.:	AB2C2D13E14 (1)
Weight, g/mol:	267.02588
ΔH_f, kcal/mol:	-29.35
Dipole, Da:	5.02
IP(EA), eV:	-9.22(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-bromo-2-methylphenyl)-3-methylbut-2-enamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1Br)NC(=O)C2=C(N=CC=C2)OC

DOS

IR

Vibrations