Geometry & MOs

Info

ID:	186843
PubChem CID:	77492682
Reduced:	ClO3N4C24H25 (1)
Stoich.:	AB3C4D24E25 (1)
Weight, g/mol:	243.041069
ΔH_f, kcal/mol:	-36.19
Dipole, Da:	8.65
IP(EA), eV:	-9.46(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(4-chloroimidazol-1-yl)-6-oxopiperidine-2-carboxylic acid

Drug info:

PubChemData

Smile

CC1=NN=C2N1C3=C(C=C(C=C3)OC)C(=NC2C(CC(C)C)C(=O)O)C4=CC=C(C=C4)Cl

DOS

IR

Vibrations