Geometry & MOs

Info

ID:	341436
PubChem CID:	127264129
Reduced:	OF2N2H8C10 (1)
Stoich.:	AB2C2D8E10 (1)
Weight, g/mol:	224.076119
ΔH_f, kcal/mol:	-76.26
Dipole, Da:	2.13
IP(EA), eV:	-9.36(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2,6-difluorophenyl)-1,5-dimethylpyrazol-3-one

Drug info:

PubChemData

Smile

CC1=NN(C(=O)C1)C2=C(C=CC=C2F)F

DOS

IR

Vibrations