Geometry & MOs

Info

ID:	374038
PubChem CID:	131322811
Reduced:	ON3H7C9 (1)
Stoich.:	AB3C7D9 (1)
Weight, g/mol:	243.94029
ΔH_f, kcal/mol:	78.53
Dipole, Da:	4.22
IP(EA), eV:	-9.93(-1.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-amino-3-bromo-5-chlorophenyl)acetonitrile

Drug info:

PubChemData

Smile

C1=CC(=C2C(=C1)C(=NO2)C#N)CN

DOS

IR

Vibrations