Geometry & MOs

Info

ID:	14953
PubChem CID:	425080
Reduced:	NO2C20H29 (1)
Stoich.:	AB2C20D29 (1)
Weight, g/mol:	315.219829
ΔH_f, kcal/mol:	-98.67
Dipole, Da:	2.39
IP(EA), eV:	-8.47(0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[phenyl-(2-piperidin-1-ylcyclohexyl)methyl] acetate

Drug info:

PubChemData

Smile

CC(=O)OC(C1CCCCC1N2CCCCC2)C3=CC=CC=C3

DOS

IR

Vibrations