Geometry & MOs

Info

ID:	32012
PubChem CID:	4244126
Reduced:	N2O3C19H22 (1)
Stoich.:	A2B3C19D22 (1)
Weight, g/mol:	428.096813
ΔH_f, kcal/mol:	-46.39
Dipole, Da:	4.48
IP(EA), eV:	-8.47(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 5-hydroxy-1-(3-nitrobenzoyl)-5-(3-nitrophenyl)-4H-pyrazole-3-carboxylate

Drug info:

PubChemData

Smile

CCN(CC)C(=O)C1=CC2=C(N1CC3=CC=CC=C3OC)C=CO2

DOS

IR

Vibrations