Geometry & MOs

Info

ID:	280300
PubChem CID:	103848274
Reduced:	BrNO4C14H20 (1)
Stoich.:	ABC4D14E20 (1)
Weight, g/mol:	329.02627
ΔH_f, kcal/mol:	-146.08
Dipole, Da:	4.19
IP(EA), eV:	-8.72(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[(6-bromo-1,3-benzodioxol-5-yl)methylamino]methyl]oxolan-3-ol

Drug info:

PubChemData

Smile

COC1=C(C=C(C(=C1)CNCC2(CCOC2)O)Br)OC

DOS

IR

Vibrations