Geometry & MOs

Info

ID:	266870
PubChem CID:	103579834
Reduced:	BrNOC12H18 (1)
Stoich.:	ABCD12E18 (1)
Weight, g/mol:	266.04186
ΔH_f, kcal/mol:	-46.77
Dipole, Da:	4.65
IP(EA), eV:	-8.2(0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-bromo-3,5-dimethylanilino)butanenitrile

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1Br)C)NC(C)COC

DOS

IR

Vibrations