Geometry & MOs

Info

ID:	380460
PubChem CID:	134970911
Reduced:	ClNO3H16C17 (1)
Stoich.:	ABC3D16E17 (1)
Weight, g/mol:	269.105193
ΔH_f, kcal/mol:	-52.0
Dipole, Da:	5.46
IP(EA), eV:	-9.88(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1CC(C(=C)C(=O)O1)C2=C(ON=C2C3=CC=CC=C3Cl)C

DOS

IR

Vibrations