Geometry & MOs

Info

ID:	59429
PubChem CID:	24863632
Reduced:	Cl2O2F3N4C21H25 (1)
Stoich.:	A2B2C3D4E21F25 (1)
Weight, g/mol:	217.073893
ΔH_f, kcal/mol:	-217.89
Dipole, Da:	9.86
IP(EA), eV:	-8.06(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-acetyl-4-methyl-2-phenyl-1,3-oxazol-5-one

Drug info:

PubChemData

Smile

CC1=C(C(=NN1CC(C2CCN(CC2)C3=CC(=C(C=C3)Cl)OC)NC(=O)C)C(F)(F)F)Cl

DOS

IR

Vibrations