Geometry & MOs

Info

ID:	293973
PubChem CID:	117420536
Reduced:	ClN2O3H11C12 (1)
Stoich.:	AB2C3D11E12 (1)
Weight, g/mol:	266.04582
ΔH_f, kcal/mol:	-73.28
Dipole, Da:	6.28
IP(EA), eV:	-9.01(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3-chloro-2-methoxy-4-methylphenyl)-1H-pyrazole-5-carboxylic acid

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=C1)OC)Cl)C2=NNC(=C2)C(=O)O

DOS

IR

Vibrations