Geometry & MOs

Info

ID:	380461
PubChem CID:	134970913
Reduced:	NO3H15C16 (1)
Stoich.:	AB3C15D16 (1)
Weight, g/mol:	339.147058
ΔH_f, kcal/mol:	-31.33
Dipole, Da:	3.32
IP(EA), eV:	-9.61(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-acetyl-5-methylidene-4-[3-(4-methylphenyl)-1,2-oxazol-5-yl]heptane-2,6-dione

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations