Geometry & MOs

Info

ID:	304212
PubChem CID:	124498936
Reduced:	N2O3C16H24 (1)
Stoich.:	A2B3C16D24 (1)
Weight, g/mol:	298.15037
ΔH_f, kcal/mol:	-157.65
Dipole, Da:	4.46
IP(EA), eV:	-8.92(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[(2S)-1-benzylpiperidin-2-yl]-4-methyl-1H-pyridine-2-thione

Drug info:

PubChemData

Smile

CC1=C(C=CC(=O)N1)[C@@H]2CCCCN2C(=O)OC(C)(C)C

DOS

IR

Vibrations