Geometry & MOs

Info

ID:	380462
PubChem CID:	134970914
Reduced:	NO4C20H21 (1)
Stoich.:	AB4C20D21 (1)
Weight, g/mol:	283.120843
ΔH_f, kcal/mol:	-77.43
Dipole, Da:	6.36
IP(EA), eV:	-9.25(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-methyl-3-methylidene-4-[3-(4-methylphenyl)-1,2-oxazol-5-yl]oxan-2-one

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C2=NOC(=C2)C(C(C(=O)C)C(=O)C)C(=C)C(=O)C

DOS

IR

Vibrations