Geometry & MOs

Info

ID:	292311
PubChem CID:	114916543
Reduced:	NSO3C14H17 (1)
Stoich.:	ABC3D14E17 (1)
Weight, g/mol:	310.135114
ΔH_f, kcal/mol:	-111.4
Dipole, Da:	3.34
IP(EA), eV:	-8.47(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-methyl-3-[2-oxo-3-(propylamino)piperidin-1-yl]thiophene-2-carboxylate

Drug info:

PubChemData

Smile

CC1=CSC(=C1N2C3CCC2CC(=O)C3)C(=O)OC

DOS

IR

Vibrations