Geometry & MOs

Info

ID:	146532
PubChem CID:	53701254
Reduced:	NO2C7H16 (1)
Stoich.:	AB2C7D16 (1)
Weight, g/mol:	219.125929
ΔH_f, kcal/mol:	-84.65
Dipole, Da:	4.33
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.756121
Charge, e:	0

Chem-info

IUPAC name:

3-methyl-4-phenylpiperidine-3-carboxylic acid

Drug info:

PubChemData

Smile

CCCOC(=O)C[NH+](C)C

DOS

IR

Vibrations