Geometry & MOs

Info

ID:	349092
PubChem CID:	127274818
Reduced:	NOC7H9 (3)
Stoich.:	ABC7D9 (3)
Weight, g/mol:	286.135114
ΔH_f, kcal/mol:	-122.81
Dipole, Da:	2.59
IP(EA), eV:	-9.59(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(oxan-2-ylmethylsulfanyl)-N-(2-oxopiperidin-3-yl)acetamide

Drug info:

PubChemData

Smile

C1CCC2C(C1)CC(N2C(=O)C3=CC=CC=C3)C(=O)NC4CCCNC4=O

DOS

IR

Vibrations