Geometry & MOs

Info

ID:	4112
PubChem CID:	10781
Reduced:	ClNO2C16H24 (1)
Stoich.:	ABC2D16E24 (1)
Weight, g/mol:	297.149557
ΔH_f, kcal/mol:	-119.24
Dipole, Da:	3.35
IP(EA), eV:	-8.81(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1CCCCN1CCCOC(=O)C2=CC=CC=C2.Cl

DOS

IR

Vibrations