Geometry & MOs

Info

ID:	11806
PubChem CID:	121277
Reduced:	NO2C15H21 (1)
Stoich.:	AB2C15D21 (1)
Weight, g/mol:	247.157229
ΔH_f, kcal/mol:	-84.26
Dipole, Da:	3.26
IP(EA), eV:	-9.02(0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2,6-dimethylphenyl) 2-piperidin-1-ylacetate

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)C)OC(=O)CN2CCCCC2

DOS

IR

Vibrations