Geometry & MOs

Info

ID:	338802
PubChem CID:	127259813
Reduced:	ClNO3C20H30 (1)
Stoich.:	ABC3D20E30 (1)
Weight, g/mol:	331.214744
ΔH_f, kcal/mol:	-182.12
Dipole, Da:	1.58
IP(EA), eV:	-8.98(0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-[(R)-cyclohexyl(hydroxy)methyl]piperidin-4-yl] 2-phenylacetate

Drug info:

PubChemData

Smile

C1CCC(CC1)[C@H](N2CCC(CC2)OC(=O)CC3=CC=CC=C3)O.Cl

DOS

IR

Vibrations