Geometry & MOs

Info

ID:	13818
PubChem CID:	398774
Reduced:	NO4C11H11 (1)
Stoich.:	AB4C11D11 (1)
Weight, g/mol:	221.068808
ΔH_f, kcal/mol:	-130.47
Dipole, Da:	4.92
IP(EA), eV:	-9.29(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-hydroxy-3,4,4a,10b-tetrahydro-2H-chromeno[3,4-e][1,3]oxazin-5-one

Drug info:

PubChemData

Smile

C1C2C(C3=C(C=C(C=C3)O)OC2=O)OCN1

DOS

IR

Vibrations