Geometry & MOs

Info

ID:	279898
PubChem CID:	103845577
Reduced:	OF2N3C12H21 (1)
Stoich.:	AB2C3D12E21 (1)
Weight, g/mol:	313.144471
ΔH_f, kcal/mol:	-139.69
Dipole, Da:	2.4
IP(EA), eV:	-9.58(0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methylamino]methyl]-2-ethylbutan-1-ol

Drug info:

PubChemData

Smile

CCC(CC)(CNCC1=NC=CN1C(F)F)CO

DOS

IR

Vibrations