Geometry & MOs

Info

ID:	21599
PubChem CID:	589142
Reduced:	N2O3C13H14 (1)
Stoich.:	A2B3C13D14 (1)
Weight, g/mol:	246.100442
ΔH_f, kcal/mol:	-65.69
Dipole, Da:	1.01
IP(EA), eV:	-8.59(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 3-(4-methoxyphenyl)-1H-pyrazole-5-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)C1=CC(=NN1)C2=CC=C(C=C2)OC

DOS

IR

Vibrations