Geometry & MOs

Info

ID:	372665
PubChem CID:	131301793
Reduced:	ClN3H8C10 (1)
Stoich.:	AB3C8D10 (1)
Weight, g/mol:	238.01056
ΔH_f, kcal/mol:	67.65
Dipole, Da:	2.04
IP(EA), eV:	-8.8(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2-amino-6-bromophenyl)-2-methylpropanenitrile

Drug info:

PubChemData

Smile

C1=CN2C(=CN=C2CCC#N)C=C1Cl

DOS

IR

Vibrations