Geometry & MOs

Info

ID:	21665
PubChem CID:	589463
Reduced:	ClNF3O3H7C17 (1)
Stoich.:	ABC3D3E7F17 (1)
Weight, g/mol:	365.006655
ΔH_f, kcal/mol:	-182.88
Dipole, Da:	3.13
IP(EA), eV:	-9.64(-2.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-chloro-2-[4-(trifluoromethyl)phenyl]-[1]benzofuro[3,2-d][1,3]oxazin-4-one

Drug info:

PubChemData

Smile

C1=CC(=CC=C1C2=NC3=C(C(=O)O2)OC4=C3C=C(C=C4)Cl)C(F)(F)F

DOS

IR

Vibrations