Geometry & MOs

Info

ID:	4113
PubChem CID:	10782
Reduced:	NO2C16H23 (1)
Stoich.:	AB2C16D23 (1)
Weight, g/mol:	261.172879
ΔH_f, kcal/mol:	-84.64
Dipole, Da:	1.73
IP(EA), eV:	-8.53(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2-methylpiperidin-1-yl)propyl benzoate

Drug info:

PubChemData

Smile

CC1CCCCN1CCCOC(=O)C2=CC=CC=C2

DOS

IR

Vibrations