Geometry & MOs

Info

ID:	365669
PubChem CID:	127318390
Reduced:	N4O4C15H20 (1)
Stoich.:	A4B4C15D20 (1)
Weight, g/mol:	315.121906
ΔH_f, kcal/mol:	-115.93
Dipole, Da:	3.85
IP(EA), eV:	-9.75(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-8-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]-4H-1,4-benzoxazin-3-one

Drug info:

PubChemData

Smile

C1CCC2(C1)C(=O)N(C(=O)N2)CC3=NC(=NO3)C4CCOCC4

DOS

IR

Vibrations