Geometry & MOs

Info

ID:	259273
PubChem CID:	103162378
Reduced:	ON2C13H14 (1)
Stoich.:	AB2C13D14 (1)
Weight, g/mol:	245.105193
ΔH_f, kcal/mol:	10.19
Dipole, Da:	3.49
IP(EA), eV:	-9.32(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(2-cyclobutylacetyl)-4H-1,4-benzoxazin-3-one

Drug info:

PubChemData

Smile

C1CC(C1)CC(=O)C2=CNC3=C2C=CC=N3

DOS

IR

Vibrations