Geometry & MOs

Info

ID:	443723
PubChem CID:	135259855
Reduced:	N3O3C20H23 (1)
Stoich.:	A3B3C20D23 (1)
Weight, g/mol:	265.131408
ΔH_f, kcal/mol:	-71.51
Dipole, Da:	7.77
IP(EA), eV:	-9.16(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[4-(hydroxymethyl)phenoxy]methyl]piperidine-1-carboxylic acid

Drug info:

PubChemData

Smile

C[C@@H]1CN(C[C@@H](N1CC2=CC=C(C=C2)C(=O)O)C)C(=O)C3=CC=CC=N3

DOS

IR

Vibrations