Geometry & MOs

Info

ID:	159987
PubChem CID:	57304331
Reduced:	NO10C34H35 (1)
Stoich.:	AB10C34D35 (1)
Weight, g/mol:	163.040006
ΔH_f, kcal/mol:	-345.18
Dipole, Da:	2.65
IP(EA), eV:	-8.86(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-chloropiperidine-2-carboxylic acid

Drug info:

PubChemData

Smile

CN(C)CCOC1=CC=C(C=C1)C(=O)C2=C(CC(C3=CC=CC=C32)C(C(=O)O)C(CC(=O)O)(C(=O)O)O)C4=CC=C(C=C4)OC

DOS

IR

Vibrations