Geometry & MOs

Info

ID:	338756
PubChem CID:	127259767
Reduced:	ClNO3C21H32 (1)
Stoich.:	ABC3D21E32 (1)
Weight, g/mol:	345.230394
ΔH_f, kcal/mol:	-183.69
Dipole, Da:	3.12
IP(EA), eV:	-8.87(-0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2-hydroxycyclohexyl)-(1-methylpiperidin-4-yl)methyl] 2-phenylacetate

Drug info:

PubChemData

Smile

CN1CCC(CC1)C(C2CCCCC2O)OC(=O)CC3=CC=CC=C3.Cl

DOS

IR

Vibrations