Geometry & MOs

Info

ID:	196952
PubChem CID:	78900033
Reduced:	NO2C12H19 (1)
Stoich.:	AB2C12D19 (1)
Weight, g/mol:	320.155849
ΔH_f, kcal/mol:	-99.85
Dipole, Da:	2.66
IP(EA), eV:	-10.3(0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-[2-[(2-methylphenyl)methylsulfanyl]acetyl]piperidin-3-yl]acetamide

Drug info:

PubChemData

Smile

CC(C)C1(CC(=O)N(C1=O)CC2CC2)C

DOS

IR

Vibrations