Geometry & MOs

Info

ID:	368313
PubChem CID:	127327906
Reduced:	NO2C9H13 (2)
Stoich.:	AB2C9D13 (2)
Weight, g/mol:	300.187149
ΔH_f, kcal/mol:	-159.23
Dipole, Da:	3.29
IP(EA), eV:	-8.8(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]thiane-4-carboxamide

Drug info:

PubChemData

Smile

CC1CCN(CC1)CC(CNC(=O)CC2=CC3=C(C=C2)OCO3)O

DOS

IR

Vibrations