Geometry & MOs

Info

ID:	20762
PubChem CID:	585566
Reduced:	ClN2O2H9C11 (1)
Stoich.:	AB2C2D9E11 (1)
Weight, g/mol:	236.035255
ΔH_f, kcal/mol:	-20.79
Dipole, Da:	2.41
IP(EA), eV:	-9.52(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(4-chloropyrazol-1-yl)methyl]benzoic acid

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)C(=O)O)CN2C=C(C=N2)Cl

DOS

IR

Vibrations