Geometry & MOs

Info

ID:	181787
PubChem CID:	76792169
Reduced:	ClON2C32H53 (1)
Stoich.:	ABC2D32E53 (1)
Weight, g/mol:	452.316956
ΔH_f, kcal/mol:	-92.19
Dipole, Da:	3.78
IP(EA), eV:	-8.39(0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-(4-chlorocyclohex-3-en-1-yl)-4-hydroxy-3,3-dimethylpiperidin-1-yl]-2-(2-cyclohexylethylamino)-3-methylbutan-1-one

Drug info:

PubChemData

Smile

CC(C)C(CN1CCC(C(C1)(C)C)C2CCC(=CC2)Cl)NCC3=CCCC(=C3)C4CCCC(C4)CO

DOS

IR

Vibrations