Geometry & MOs

Info

ID:	5422
PubChem CID:	13133
Reduced:	NH2C3Cl3 (1)
Stoich.:	AB2C3D3 (1)
Weight, g/mol:	156.925282
ΔH_f, kcal/mol:	8.01
Dipole, Da:	1.77
IP(EA), eV:	-11.29(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,2,3-trichloropropanenitrile

Drug info:

PubChemData

Smile

C(C(C#N)(Cl)Cl)Cl

DOS

IR

Vibrations