Geometry & MOs

Info

ID:	217203
PubChem CID:	85087417
Reduced:	N4O4C17H20 (1)
Stoich.:	A4B4C17D20 (1)
Weight, g/mol:	342.116841
ΔH_f, kcal/mol:	-108.8
Dipole, Da:	3.9
IP(EA), eV:	-8.78(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(2-fluorophenyl)methylidene]-2,5-diphenylpyrazol-3-one

Drug info:

PubChemData

Smile

CCOC(=O)C(=CC=C1C(NNC(=O)N1)C)NC(=O)C2=CC=CC=C2

DOS

IR

Vibrations