Geometry & MOs

Info

ID:	126999
PubChem CID:	50986790
Reduced:	ClNO2C18H28 (1)
Stoich.:	ABC2D18E28 (1)
Weight, g/mol:	311.165207
ΔH_f, kcal/mol:	-68.27
Dipole, Da:	7.1
IP(EA), eV:	-8.95(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

hydron;2-(1-propylpiperidin-2-yl)ethyl benzoate;chloride

Drug info:

PubChemData

Smile

[H+].CCCN1CCCCC1CCCOC(=O)C2=CC=CC=C2.[Cl-]

DOS

IR

Vibrations