Geometry & MOs

Info

ID:	293884
PubChem CID:	117409808
Reduced:	N2O4C13H14 (1)
Stoich.:	A2B4C13D14 (1)
Weight, g/mol:	262.095357
ΔH_f, kcal/mol:	-111.15
Dipole, Da:	3.41
IP(EA), eV:	-9.37(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC(=O)C(=O)C1=CC=CC=C1N2CCC(=O)N2

DOS

IR

Vibrations