Geometry & MOs

Info

ID:	338754
PubChem CID:	127259765
Reduced:	NO2C12H17 (1)
Stoich.:	AB2C12D17 (1)
Weight, g/mol:	345.230394
ΔH_f, kcal/mol:	-84.8
Dipole, Da:	2.89
IP(EA), eV:	-9.39(0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C(C)OC(=O)CC1=CC=CC=C1)N

DOS

IR

Vibrations