Geometry & MOs

Info

ID:	294044
PubChem CID:	117425014
Reduced:	ClN2O4H9C11 (1)
Stoich.:	AB2C4D9E11 (1)
Weight, g/mol:	268.025084
ΔH_f, kcal/mol:	-65.18
Dipole, Da:	10.4
IP(EA), eV:	-7.93(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5Z)-5-(4-chloro-5-methoxy-6-oxocyclohexa-2,4-dien-1-ylidene)-1,2-dihydropyrazole-3-carboxylic acid

Drug info:

PubChemData

Smile

C1COC\2=C(O1)C=C(C(=O)/C2=C\3/C=C(NO3)N)Cl

DOS

IR

Vibrations