Geometry & MOs

Info

ID:	395222
PubChem CID:	135024948
Reduced:	NO2C19H33 (1)
Stoich.:	AB2C19D33 (1)
Weight, g/mol:	271.103085
ΔH_f, kcal/mol:	-132.21
Dipole, Da:	0.71
IP(EA), eV:	-8.58(0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

S-naphthalen-2-yl piperidine-1-carbothioate

Drug info:

PubChemData

Smile

CCC(C)N1CC(=C[C@H]1C(=O)OC(C)(C)C)C2CCCCC2

DOS

IR

Vibrations