Geometry & MOs

Info

ID:	280292
PubChem CID:	103848240
Reduced:	BrNO3C13H18 (1)
Stoich.:	ABC3D13E18 (1)
Weight, g/mol:	265.131408
ΔH_f, kcal/mol:	-110.05
Dipole, Da:	3.8
IP(EA), eV:	-9.19(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)methyl]oxolan-3-ol

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations