Geometry & MOs

Info

ID:	175163
PubChem CID:	75862588
Reduced:	SN3O3C19H28 (1)
Stoich.:	AB3C3D19E28 (1)
Weight, g/mol:	280.251464
ΔH_f, kcal/mol:	-106.38
Dipole, Da:	4.56
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.135863
Charge, e:	0

Chem-info

IUPAC name:

N-(2,3-dimethylcyclohexyl)-2-(3-methylpiperidin-1-yl)propanamide

Drug info:

PubChemData

Smile

COC1=CC=CC=C1C(CNC(=O)CCN2CCSC2=O)[NH+]3CCCC3

DOS

IR

Vibrations