Geometry & MOs

Info

ID:	10047
PubChem CID:	96576
Reduced:	NO2C19H21 (1)
Stoich.:	AB2C19D21 (1)
Weight, g/mol:	295.157229
ΔH_f, kcal/mol:	-41.04
Dipole, Da:	3.57
IP(EA), eV:	-8.91(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-benzyl-4-phenylpiperidine-4-carboxylic acid

Drug info:

PubChemData

Smile

C1CN(CCC1(C2=CC=CC=C2)C(=O)O)CC3=CC=CC=C3

DOS

IR

Vibrations