Geometry & MOs

Info

ID:	296358
PubChem CID:	117570047
Reduced:	BrN2C11H13 (1)
Stoich.:	AB2C11D13 (1)
Weight, g/mol:	234.136828
ΔH_f, kcal/mol:	39.85
Dipole, Da:	3.54
IP(EA), eV:	-8.65(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2,4-dimethoxyanilino)-2,2-dimethylpropanenitrile

Drug info:

PubChemData

Smile

CC(C)(CNC1=CC=C(C=C1)Br)C#N

DOS

IR

Vibrations