Geometry & MOs

Info

ID:	422188
PubChem CID:	135117359
Reduced:	N3O4C19H25 (1)
Stoich.:	A3B4C19D25 (1)
Weight, g/mol:	334.144806
ΔH_f, kcal/mol:	-153.89
Dipole, Da:	8.48
IP(EA), eV:	-9.28(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-chlorophenyl)-N-(2-oxopiperidin-3-yl)cyclohexane-1-carboxamide

Drug info:

PubChemData

Smile

CCC[C@@]1(CN(CC[C@H]1O)CC2=CC(=O)N3C=CC=C(C3=N2)C)C(=O)O

DOS

IR

Vibrations