Geometry & MOs

Info

ID:	304431
PubChem CID:	124594263
Reduced:	ClSN2O2C15H21 (1)
Stoich.:	ABC2D2E15F21 (1)
Weight, g/mol:	276.183778
ΔH_f, kcal/mol:	-76.57
Dipole, Da:	2.03
IP(EA), eV:	-8.63(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(3R)-3-aminopiperidin-1-yl]-4-(2-methylphenoxy)butan-1-one

Drug info:

PubChemData

Smile

CSCC[C@@H](C(=O)N1CCO[C@@H](C1)C2=CC=CC=C2Cl)N

DOS

IR

Vibrations