Geometry & MOs

Info

ID:	158949
PubChem CID:	57244282
Reduced:	NF3O3C4H4 (1)
Stoich.:	AB3C3D4E4 (1)
Weight, g/mol:	277.186421
ΔH_f, kcal/mol:	-276.17
Dipole, Da:	2.24
IP(EA), eV:	-11.02(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[(1-butylpiperidin-4-yl)methyl]-6-methylcyclohexa-2,4-diene-1-thione

Drug info:

PubChemData

Smile

C(C(=O)N)OC(=O)C(F)(F)F

DOS

IR

Vibrations