Geometry & MOs

Info

ID:	158024
PubChem CID:	56459414
Reduced:	SO4N5C20H33 (1)
Stoich.:	AB4C5D20E33 (1)
Weight, g/mol:	339.150225
ΔH_f, kcal/mol:	-82.99
Dipole, Da:	7.2
IP(EA), eV:	-8.72(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-chloro-4-[[2-(piperidin-1-ylmethyl)phenyl]methylamino]benzonitrile

Drug info:

PubChemData

Smile

CC(CNC1=C(C=C(C=C1)S(=O)(=O)N2CCCCCC2)[N+](=O)[O-])N3CCN(CC3)C

DOS

IR

Vibrations