Geometry & MOs

Info

ID:	292976
PubChem CID:	117367540
Reduced:	N2O3C13H14 (1)
Stoich.:	A2B3C13D14 (1)
Weight, g/mol:	246.100442
ΔH_f, kcal/mol:	-66.76
Dipole, Da:	4.14
IP(EA), eV:	-8.96(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CN(N=C1)C2=CC=C(C=C2)C(C(=O)OC)O

DOS

IR

Vibrations