Geometry & MOs

Info

ID:	403201
PubChem CID:	135059147
Reduced:	ClN2O4H11C13 (1)
Stoich.:	AB2C4D11E13 (1)
Weight, g/mol:	445.115296
ΔH_f, kcal/mol:	-18.14
Dipole, Da:	6.61
IP(EA), eV:	-9.83(-1.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 1-[(2E)-2-(4-chlorophenyl)-1-(4-ethoxycarbonylpyrazol-1-yl)-2-hydroxyiminoethyl]pyrazole-4-carboxylate

Drug info:

PubChemData

Smile

C1CC(=C(/C(=N/O)/C1)C(=O)C2=CC=C(C=C2)[N+](=O)[O-])Cl

DOS

IR

Vibrations