Geometry & MOs

Info

ID:	21277
PubChem CID:	587828
Reduced:	NO2C17H25 (1)
Stoich.:	AB2C17D25 (1)
Weight, g/mol:	275.188529
ΔH_f, kcal/mol:	-87.2
Dipole, Da:	1.76
IP(EA), eV:	-8.64(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(5-ethyl-2-methylpiperidin-1-yl)ethyl benzoate

Drug info:

PubChemData

Smile

CCC1CCC(N(C1)CCOC(=O)C2=CC=CC=C2)C

DOS

IR

Vibrations