Geometry & MOs

Info

ID:	364179
PubChem CID:	127314477
Reduced:	SN2O3C19H26 (1)
Stoich.:	AB2C3D19E26 (1)
Weight, g/mol:	242.145285
ΔH_f, kcal/mol:	-100.02
Dipole, Da:	8.59
IP(EA), eV:	-9.15(-0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1-methylpiperidin-4-yl)thiane-4-carboxamide

Drug info:

PubChemData

Smile

C1CS(=O)(=O)CCC1C(=O)N2CCN(CC2)CC=CC3=CC=CC=C3

DOS

IR

Vibrations