Geometry & MOs

Info

ID:	171316
PubChem CID:	75358026
Reduced:	ClN2O4C13H13 (1)
Stoich.:	AB2C4D13E13 (1)
Weight, g/mol:	321.096085
ΔH_f, kcal/mol:	-120.06
Dipole, Da:	5.1
IP(EA), eV:	-9.46(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-ethoxycarbonyl-2-(2-methyl-4-nitrophenyl)-3,4-dihydropyrazole-3-carboxylic acid

Drug info:

PubChemData

Smile

CCOC(=O)C1=NN(C(C1)C(=O)O)C2=CC(=CC=C2)Cl

DOS

IR

Vibrations