Geometry & MOs

Info

ID:	380459
PubChem CID:	134970910
Reduced:	ClNO5C20H20 (1)
Stoich.:	ABC5D20E20 (1)
Weight, g/mol:	317.081871
ΔH_f, kcal/mol:	-131.44
Dipole, Da:	5.28
IP(EA), eV:	-9.73(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]-6-methyl-3-methylideneoxan-2-one

Drug info:

PubChemData

Smile

CC1=C(C(=NO1)C2=CC=CC=C2Cl)C(C(C(=O)C)C(=O)C)C(=C)C(=O)OC

DOS

IR

Vibrations