Geometry & MOs

Info

ID:	408389
PubChem CID:	135081155
Reduced:	BrF2H7C9 (1)
Stoich.:	AB2C7D9 (1)
Weight, g/mol:	262.077599
ΔH_f, kcal/mol:	-66.34
Dipole, Da:	1.67
IP(EA), eV:	-9.65(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-morpholin-4-yl-4H-1,4-benzothiazine-2-carbaldehyde

Drug info:

PubChemData

Smile

C1=CC(=CC=C1C=CC(F)F)Br

DOS

IR

Vibrations