Geometry & MOs

Info

ID:	295738
PubChem CID:	117543486
Reduced:	FO2N3C10H10 (1)
Stoich.:	AB2C3D10E10 (1)
Weight, g/mol:	190.074228
ΔH_f, kcal/mol:	-64.82
Dipole, Da:	4.12
IP(EA), eV:	-8.47(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(4-methoxyphenyl)-1,2-dihydropyrazol-3-one

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)C2=C(NNC2=O)N)F

DOS

IR

Vibrations