Geometry & MOs

Info

ID:	372437
PubChem CID:	131297612
Reduced:	ClNOC11H14 (1)
Stoich.:	ABCD11E14 (1)
Weight, g/mol:	238.01452
ΔH_f, kcal/mol:	-28.37
Dipole, Da:	4.97
IP(EA), eV:	-8.78(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-chloro-1-(2-hydroxyphenyl)pyrazole-3-carboxylic acid

Drug info:

PubChemData

Smile

CCC1=CC(=C(C(=C1)Cl)O)C=CCN

DOS

IR

Vibrations