Geometry & MOs

Info

ID:	135551
PubChem CID:	51891354
Reduced:	Cl2N3C12H16 (1)
Stoich.:	A2B3C12D16 (1)
Weight, g/mol:	271.064303
ΔH_f, kcal/mol:	66.67
Dipole, Da:	4.14
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.752767
Charge, e:	0

Chem-info

IUPAC name:

(2R)-2-(3,4-dichlorophenyl)-2-[2-(dimethylamino)ethylamino]acetonitrile

Drug info:

PubChemData

Smile

C[NH+](C)CCN[C@@H](C#N)C1=CC(=C(C=C1)Cl)Cl

DOS

IR

Vibrations