Geometry & MOs

Info

ID:	80805
PubChem CID:	49845980
Reduced:	NO2C6H6 (2)
Stoich.:	AB2C6D6 (2)
Weight, g/mol:	278.072513
ΔH_f, kcal/mol:	-110.81
Dipole, Da:	6.41
IP(EA), eV:	-9.3(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-hydroxy-8-methyl-2-thiomorpholin-4-yl-1,3-benzoxazin-4-one

Drug info:

PubChemData

Smile

C1COCCN1C2=NC(=O)C3=C(O2)C=CC(=C3)O

DOS

IR

Vibrations