Geometry & MOs

Info

ID:	295726
PubChem CID:	117543427
Reduced:	NO2C6H6 (2)
Stoich.:	AB2C6D6 (2)
Weight, g/mol:	264.111007
ΔH_f, kcal/mol:	-94.67
Dipole, Da:	6.08
IP(EA), eV:	-8.2(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN1C(=C(C(=O)N1)C2=CC3=C(C=C2)OCCO3)O

DOS

IR

Vibrations