Geometry & MOs

Info

ID:	279879
PubChem CID:	103845502
Reduced:	BrNO2C15H24 (1)
Stoich.:	ABC2D15E24 (1)
Weight, g/mol:	343.07831
ΔH_f, kcal/mol:	-85.78
Dipole, Da:	5.3
IP(EA), eV:	-8.83(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[(7-bromo-1,3-benzodioxol-5-yl)methylamino]methyl]-2-ethylbutan-1-ol

Drug info:

PubChemData

Smile

CCC(CC)(CNCC1=C(C=CC(=C1)OC)Br)CO

DOS

IR

Vibrations