Geometry & MOs

Info

ID:	353162
PubChem CID:	127284342
Reduced:	NOC7H12 (2)
Stoich.:	ABC7D12 (2)
Weight, g/mol:	300.150764
ΔH_f, kcal/mol:	-117.22
Dipole, Da:	3.03
IP(EA), eV:	-9.52(0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-methyl-1-[2-(oxan-2-ylmethylsulfanyl)acetyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CNC(=O)C1CCCN1C(=O)C2CCCCCC2

DOS

IR

Vibrations