Geometry & MOs

Info

ID:	49111
PubChem CID:	11528722
Reduced:	ClFN2C11H14 (1)
Stoich.:	ABC2D11E14 (1)
Weight, g/mol:	229.035063
ΔH_f, kcal/mol:	-36.07
Dipole, Da:	1.55
IP(EA), eV:	-9.12(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5,7,8-trifluoro-2,6-dimethyl-3,1-benzoxazin-4-one

Drug info:

PubChemData

Smile

C[C@@H]1CNCCN1C2=CC(=CC(=C2)Cl)F

DOS

IR

Vibrations