Geometry & MOs

Info

ID:	9876
PubChem CID:	94319
Reduced:	SN2O10C44H68 (1)
Stoich.:	AB2C10D44E68 (1)
Weight, g/mol:	816.459468
ΔH_f, kcal/mol:	-462.69
Dipole, Da:	1.68
IP(EA), eV:	-8.34(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2-methylpiperidin-1-yl)propyl 4-cyclohexyloxybenzoate;sulfuric acid

Drug info:

PubChemData

Smile

CC1CCCCN1CCCOC(=O)C2=CC=C(C=C2)OC3CCCCC3.CC1CCCCN1CCCOC(=O)C2=CC=C(C=C2)OC3CCCCC3.OS(=O)(=O)O

DOS

IR

Vibrations