Geometry & MOs

Info

ID:	269760
PubChem CID:	103618955
Reduced:	ClN2O2C15H15 (1)
Stoich.:	AB2C2D15E15 (1)
Weight, g/mol:	256.053404
ΔH_f, kcal/mol:	-30.68
Dipole, Da:	4.58
IP(EA), eV:	-8.12(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(2,3-dichlorophenyl)methyl-methylamino]butanenitrile

Drug info:

PubChemData

Smile

C1CCN(C1)C2=CC=CC(=C2)NC(=O)C3=CC=C(O3)Cl

DOS

IR

Vibrations