Geometry & MOs

Info

ID:	295728
PubChem CID:	117543438
Reduced:	N2O3C13H16 (1)
Stoich.:	A2B3C13D16 (1)
Weight, g/mol:	218.105528
ΔH_f, kcal/mol:	-79.94
Dipole, Da:	2.53
IP(EA), eV:	-8.24(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2,5-dimethylphenyl)-3-hydroxy-2-methyl-1H-pyrazol-5-one

Drug info:

PubChemData

Smile

CC(C)OC1=CC=C(C=C1)C2=C(N(NC2=O)C)O

DOS

IR

Vibrations