Geometry & MOs

Info

ID:	137620
PubChem CID:	52236221
Reduced:	SN2O5C17H20 (1)
Stoich.:	AB2C5D17E20 (1)
Weight, g/mol:	276.183778
ΔH_f, kcal/mol:	-145.44
Dipole, Da:	5.02
IP(EA), eV:	-9.02(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-N-[[3-(methoxymethyl)phenyl]methyl]-3-methylpiperidine-1-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=NO1)CS(=O)(=O)[C@H](C)C(=O)N[C@@H]2CCOC3=CC=CC=C23

DOS

IR

Vibrations