Geometry & MOs

Info

ID:	294729
PubChem CID:	117486394
Reduced:	BrNO3C12H16 (1)
Stoich.:	ABC3D12E16 (1)
Weight, g/mol:	301.03136
ΔH_f, kcal/mol:	-85.78
Dipole, Da:	5.47
IP(EA), eV:	-9.23(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(7-bromo-6-methoxy-2,3-dihydro-1,4-benzodioxin-5-yl)propan-1-amine

Drug info:

PubChemData

Smile

COC1=C(C(=C(C=C1C=O)Br)CCCN)OC

DOS

IR

Vibrations