Geometry & MOs

Info

ID:	293972
PubChem CID:	117420530
Reduced:	ClN2O3H11C12 (1)
Stoich.:	AB2C3D11E12 (1)
Weight, g/mol:	266.04582
ΔH_f, kcal/mol:	-64.31
Dipole, Da:	6.57
IP(EA), eV:	-8.7(-1.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2-chloro-3-methoxy-5-methylphenyl)-1H-pyrazole-5-carboxylic acid

Drug info:

PubChemData

Smile

CC\1=CC(=C(C(=O)/C1=C/2\C=C(NN2)C(=O)O)Cl)C

DOS

IR

Vibrations