Geometry & MOs

Info

ID:	365202
PubChem CID:	127317019
Reduced:	O2N4C19H24 (1)
Stoich.:	A2B4C19D24 (1)
Weight, g/mol:	396.252526
ΔH_f, kcal/mol:	20.56
Dipole, Da:	5.31
IP(EA), eV:	-9.07(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(1-benzoylpiperidin-4-yl)-methylamino]-N-(1-cyanocyclohexyl)-N-methylacetamide

Drug info:

PubChemData

Smile

CN(CC1=NOC(=N1)C2CC2)C3CCN(CC3)C(=O)C4=CC=CC=C4

DOS

IR

Vibrations