Geometry & MOs

Info

ID:	157670
PubChem CID:	56436392
Reduced:	ClSO4C14H19 (1)
Stoich.:	ABC4D14E19 (1)
Weight, g/mol:	400.198463
ΔH_f, kcal/mol:	-161.59
Dipole, Da:	3.98
IP(EA), eV:	-8.67(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

cyclohexyl-[4-[[5-(2-fluorophenyl)thiophen-2-yl]methylamino]piperidin-1-yl]methanone

Drug info:

PubChemData

Smile

CCOC1=C(C=C(C=C1Cl)C(=O)OCCSCC)OC

DOS

IR

Vibrations