Geometry & MOs

Info

ID:	80804
PubChem CID:	49845979
Reduced:	NO2C6H6 (2)
Stoich.:	AB2C6D6 (2)
Weight, g/mol:	248.079707
ΔH_f, kcal/mol:	-121.84
Dipole, Da:	4.96
IP(EA), eV:	-9.56(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-hydroxy-2-morpholin-4-yl-1,3-benzoxazin-4-one

Drug info:

PubChemData

Smile

C1COCCN1C2=NC(=O)C3=C(C=CC=C3O2)O

DOS

IR

Vibrations