Geometry & MOs

Info

ID:	341435
PubChem CID:	127264128
Reduced:	NO5C15H15 (1)
Stoich.:	AB5C15D15 (1)
Weight, g/mol:	210.060469
ΔH_f, kcal/mol:	-56.98
Dipole, Da:	2.55
IP(EA), eV:	-8.94(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2,6-difluorophenyl)-5-methyl-4H-pyrazol-3-one

Drug info:

PubChemData

Smile

COC1=CC2=C(C=C1)C3=C(CCCO2)C(=NO3)C(=O)OC

DOS

IR

Vibrations