Geometry & MOs

Info

ID:	206441
PubChem CID:	80250256
Reduced:	NSO2C6H7 (2)
Stoich.:	ABC2D6E7 (2)
Weight, g/mol:	280.19732
ΔH_f, kcal/mol:	-119.72
Dipole, Da:	4.18
IP(EA), eV:	-9.08(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(3-ethylthiophen-2-yl)methyl]-2-methyl-N-propylpiperidin-4-amine

Drug info:

PubChemData

Smile

CCC1=C(SC=C1)CNS(=O)(=O)C2=CNC(=C2)C(=O)O

DOS

IR

Vibrations