Geometry & MOs

Info

ID:	264834
PubChem CID:	103495595
Reduced:	ClN2C11H19 (1)
Stoich.:	AB2C11D19 (1)
Weight, g/mol:	296.111398
ΔH_f, kcal/mol:	-10.16
Dipole, Da:	4.72
IP(EA), eV:	-9.2(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-chloro-6-(4-propan-2-ylpiperidin-1-yl)benzenecarbothioamide

Drug info:

PubChemData

Smile

CC(C)C1CCN(CC1)CC(C#N)Cl

DOS

IR

Vibrations