Geometry & MOs

Info

ID:	80806
PubChem CID:	49845981
Reduced:	SN2O3C13H14 (1)
Stoich.:	AB2C3D13E14 (1)
Weight, g/mol:	260.116092
ΔH_f, kcal/mol:	-84.6
Dipole, Da:	6.56
IP(EA), eV:	-9.04(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=CC2=C1OC(=NC2=O)N3CCSCC3)O

DOS

IR

Vibrations