Geometry & MOs

Info

ID:	181785
PubChem CID:	76791814
Reduced:	ClON4C23H43 (1)
Stoich.:	ABC4D23E43 (1)
Weight, g/mol:	398.270006
ΔH_f, kcal/mol:	-107.22
Dipole, Da:	1.76
IP(EA), eV:	-9.07(0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-(4-chlorocyclohexen-1-yl)-3,3-dimethylpiperidin-1-yl]-3-methyl-2-(propan-2-yloxymethylamino)butan-1-one

Drug info:

PubChemData

Smile

CC(C)C(C(=O)N1CCC(C(C1)(C)C)C2=CCC(CC2)Cl)NCC(CCCN)N

DOS

IR

Vibrations