Geometry & MOs

Info

ID:	339140
PubChem CID:	127260519
Reduced:	NO2H11C15 (1)
Stoich.:	AB2C11D15 (1)
Weight, g/mol:	219.125929
ΔH_f, kcal/mol:	-6.59
Dipole, Da:	6.25
IP(EA), eV:	-9.62(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-methylpiperidin-4-yl) benzoate

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)OC(=O)C2=CC=CC=C2)C#N

DOS

IR

Vibrations