Geometry & MOs

Info

ID:	293975
PubChem CID:	117420546
Reduced:	ClN2O3H11C12 (1)
Stoich.:	AB2C3D11E12 (1)
Weight, g/mol:	266.04582
ΔH_f, kcal/mol:	-67.18
Dipole, Da:	3.1
IP(EA), eV:	-8.65(-1.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3Z)-3-(3-chloro-5-methyl-6-oxocyclohexa-2,4-dien-1-ylidene)-2-methyl-1H-pyrazole-5-carboxylic acid

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations