Geometry & MOs

Info

ID:	259284
PubChem CID:	103162409
Reduced:	BrO3C14H15 (1)
Stoich.:	AB3C14D15 (1)
Weight, g/mol:	324.03611
ΔH_f, kcal/mol:	-85.55
Dipole, Da:	5.03
IP(EA), eV:	-9.09(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(7-bromo-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-2-cyclobutylethanone

Drug info:

PubChemData

Smile

C1CC(C1)CC(=O)C2=CC3=C(C=C2Br)OCCO3

DOS

IR

Vibrations