Geometry & MOs

Info

ID:	22148
PubChem CID:	596093
Reduced:	N4O5C14H18 (1)
Stoich.:	A4B5C14D18 (1)
Weight, g/mol:	322.12772
ΔH_f, kcal/mol:	-85.79
Dipole, Da:	10.66
IP(EA), eV:	-8.7(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-ethoxy-4-hydroxy-5,5-dimethyl-1-(4-nitrophenyl)pyrazole-4-carboxamide

Drug info:

PubChemData

Smile

CCOC1=NN(C(C1(C(=O)N)O)(C)C)C2=CC=C(C=C2)[N+](=O)[O-]

DOS

IR

Vibrations