Geometry & MOs

Info

ID:	295724
PubChem CID:	117543423
Reduced:	N2O3C12H14 (1)
Stoich.:	A2B3C12D14 (1)
Weight, g/mol:	246.136828
ΔH_f, kcal/mol:	-73.43
Dipole, Da:	4.45
IP(EA), eV:	-8.66(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(4-tert-butylphenyl)-3-hydroxy-2-methyl-1H-pyrazol-5-one

Drug info:

PubChemData

Smile

CCOC1=CC=CC(=C1)C2=C(N(NC2=O)C)O

DOS

IR

Vibrations