Geometry & MOs

Info

ID:	293164
PubChem CID:	117375250
Reduced:	NO5H11C12 (1)
Stoich.:	AB5C11D12 (1)
Weight, g/mol:	249.074956
ΔH_f, kcal/mol:	-107.97
Dipole, Da:	2.82
IP(EA), eV:	-8.64(-1.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3E)-3-(5-amino-1,2-dihydropyrazol-3-ylidene)-5-methoxy-6-oxocyclohexa-1,4-diene-1-carboxylic acid

Drug info:

PubChemData

Smile

CC1=CC=C(/C(=C/2\C=C(NO2)C(=O)O)/C1=O)OC

DOS

IR

Vibrations