Geometry & MOs

Info

ID:	205436
PubChem CID:	80100671
Reduced:	NO2C6H6 (2)
Stoich.:	AB2C6D6 (2)
Weight, g/mol:	235.120843
ΔH_f, kcal/mol:	-121.45
Dipole, Da:	2.93
IP(EA), eV:	-9.35(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(3-hydroxyphenyl)methyl]piperidine-4-carboxylic acid

Drug info:

PubChemData

Smile

C1CC(=O)N(N=C1C(=O)O)CC2=CC(=CC=C2)O

DOS

IR

Vibrations