Geometry & MOs

Info

ID:	230380
PubChem CID:	87570753
Reduced:	OC4H6 (3)
Stoich.:	AB4C6 (3)
Weight, g/mol:	417.281384
ΔH_f, kcal/mol:	-71.3
Dipole, Da:	2.43
IP(EA), eV:	-10.05(0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(4-aminobutan-2-yl)piperidin-4-yl]-N-benzyl-2-cyclohexyl-2-sulfanylacetamide

Drug info:

PubChemData

Smile

C=CC(C(C=C)OC(C=C)C(C=C)O)O

DOS

IR

Vibrations