Geometry & MOs

Info

ID:	259283
PubChem CID:	103162408
Reduced:	N2O3C14H14 (1)
Stoich.:	A2B3C14D14 (1)
Weight, g/mol:	310.02046
ΔH_f, kcal/mol:	-6.49
Dipole, Da:	10.32
IP(EA), eV:	-9.6(-1.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-2-cyclobutylethanone

Drug info:

PubChemData

Smile

C1CC(C1)CC(=O)C2=CNC3=C2C=C(C=C3)[N+](=O)[O-]

DOS

IR

Vibrations