Geometry & MOs

Info

ID:	388740
PubChem CID:	134990059
Reduced:	BF2O3C13H15 (1)
Stoich.:	AB2C3D13E15 (1)
Weight, g/mol:	263.034921
ΔH_f, kcal/mol:	-346.44
Dipole, Da:	8.17
IP(EA), eV:	-9.41(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-chloro-3-ethyl-7-methylchromeno[3,4-d][1,2]oxazol-4-one

Drug info:

PubChemData

Smile

B(O/C(=C\C(=O)C1=CC=C(C=C1)OC(C)C)/C)(F)F

DOS

IR

Vibrations