Geometry & MOs

Info

ID:	380463
PubChem CID:	134970915
Reduced:	NO3C17H17 (1)
Stoich.:	AB3C17D17 (1)
Weight, g/mol:	343.121986
ΔH_f, kcal/mol:	-42.03
Dipole, Da:	3.5
IP(EA), eV:	-9.3(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-acetyl-4-[3-(2-fluorophenyl)-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=C(C=C3)C

DOS

IR

Vibrations