Geometry & MOs

Info

ID:	253600
PubChem CID:	103119491
Reduced:	FO2N4H9C14 (1)
Stoich.:	AB2C4D9E14 (1)
Weight, g/mol:	208.084792
ΔH_f, kcal/mol:	-1.69
Dipole, Da:	2.9
IP(EA), eV:	-9.86(-1.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(1-methylpyrazole-3-carbonyl)oxan-4-one

Drug info:

PubChemData

Smile

C1=CC(=NC=C1F)C(=O)CC(=O)C2=C3C=NC=CN3N=C2

DOS

IR

Vibrations