Geometry & MOs

Info

ID:	349518
PubChem CID:	127275405
Reduced:	OSN4C11H14 (1)
Stoich.:	ABC4D11E14 (1)
Weight, g/mol:	290.120132
ΔH_f, kcal/mol:	10.6
Dipole, Da:	3.25
IP(EA), eV:	-9.07(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-cyano-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)piperidine-1-carboxamide

Drug info:

PubChemData

Smile

CC1=CSC(=N1)NC(=O)N2CCC(CC2)C#N

DOS

IR

Vibrations