Geometry & MOs

Info

ID:	295002
PubChem CID:	117511336
Reduced:	BrNO3C14H20 (1)
Stoich.:	ABC3D14E20 (1)
Weight, g/mol:	329.06266
ΔH_f, kcal/mol:	-94.61
Dipole, Da:	4.15
IP(EA), eV:	-8.64(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(8-bromo-5-propan-2-yl-2,3-dihydro-1,4-benzodioxin-6-yl)-2-(methylamino)ethanol

Drug info:

PubChemData

Smile

CC(C)C1=C(C(=C(C=C1C(=O)CNC)OC)OC)Br

DOS

IR

Vibrations