Geometry & MOs

Info

ID:	380465
PubChem CID:	134970919
Reduced:	FNO3H14C16 (1)
Stoich.:	ABC3D14E16 (1)
Weight, g/mol:	393.053463
ΔH_f, kcal/mol:	-78.14
Dipole, Da:	3.37
IP(EA), eV:	-9.92(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-acetyl-4-[3-(2,4-dichlorophenyl)-1,2-oxazol-5-yl]-5-methylideneheptane-2,6-dione

Drug info:

PubChemData

Smile

CC1CC(C(=C)C(=O)O1)C2=CC(=NO2)C3=CC=CC=C3F

DOS

IR

Vibrations