Geometry & MOs

Info

ID:	387590
PubChem CID:	134986021
Reduced:	BrO3C9H11 (1)
Stoich.:	AB3C9D11 (1)
Weight, g/mol:	189.97934
ΔH_f, kcal/mol:	-72.47
Dipole, Da:	3.72
IP(EA), eV:	-9.92(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,2R,3S,4R,5R,6S)-3-bromo-5-fluorotricyclo[2.2.1.02,6]heptane

Drug info:

PubChemData

Smile

CCOC(=O)/C(=C/C#CCOC)/Br

DOS

IR

Vibrations