Geometry & MOs

Info

ID:	54736
PubChem CID:	17389178
Reduced:	NOBr3H10C13 (1)
Stoich.:	ABC3D10E13 (1)
Weight, g/mol:	184.073559
ΔH_f, kcal/mol:	16.46
Dipole, Da:	3.91
IP(EA), eV:	-8.47(-1.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,2S,4S,5R,6R)-5-prop-2-enoxy-3,8,9-trioxatricyclo[4.2.1.02,4]nonane

Drug info:

PubChemData

Smile

C1=CC(=C[N+](=C1)CC(=O)C2=CC=C(C=C2)Br)Br.[Br-]

DOS

IR

Vibrations