Geometry & MOs

Info

ID:	294437
PubChem CID:	117461003
Reduced:	BrNO2C12H16 (1)
Stoich.:	ABC2D12E16 (1)
Weight, g/mol:	285.03644
ΔH_f, kcal/mol:	-70.41
Dipole, Da:	2.79
IP(EA), eV:	-9.12(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(CCN)C1=C(C=C2COCOC2=C1)Br

DOS

IR

Vibrations