Geometry & MOs

Info

ID:	415329
PubChem CID:	135088323
Reduced:	SN2C16H26 (1)
Stoich.:	AB2C16D26 (1)
Weight, g/mol:	358.171499
ΔH_f, kcal/mol:	13.28
Dipole, Da:	2.65
IP(EA), eV:	-8.6(0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-[2-(3-hydroxyphenyl)ethyl]piperidin-1-yl]-N-(thiophen-2-ylmethyl)acetamide

Drug info:

PubChemData

Smile

CN(C)C1C[C@@H]2CC(C[C@@H]2C1)N(C)CC3=CC=CS3

DOS

IR

Vibrations