Geometry & MOs

Info

ID:	294843
PubChem CID:	117499217
Reduced:	BrNO3C13H16 (1)
Stoich.:	ABC3D13E16 (1)
Weight, g/mol:	313.03136
ΔH_f, kcal/mol:	-96.23
Dipole, Da:	4.53
IP(EA), eV:	-9.15(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-7-piperidin-3-yl-2,3-dihydro-1,4-benzodioxin-6-ol

Drug info:

PubChemData

Smile

CC1=C2C(=CC(=C1C(=O)CCN)Br)OCCCO2

DOS

IR

Vibrations