Geometry & MOs

Info

ID:	142187
PubChem CID:	52997940
Reduced:	ClON3C24H30 (1)
Stoich.:	ABC3D24E30 (1)
Weight, g/mol:	455.267173
ΔH_f, kcal/mol:	-36.89
Dipole, Da:	4.09
IP(EA), eV:	-8.37(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-butyl-3-methyl-2,6-diphenyl-5-propylpiperidin-4-ol;oxalic acid

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1)C(=C(N2)C)C(=O)CN3CCN(CC3)C4=CC=CC(=C4C)C.Cl

DOS

IR

Vibrations