Geometry & MOs

Info

ID:	389934
PubChem CID:	134996108
Reduced:	ClO2C13H17 (1)
Stoich.:	AB2C13D17 (1)
Weight, g/mol:	245.98916
ΔH_f, kcal/mol:	-93.8
Dipole, Da:	3.48
IP(EA), eV:	-9.38(0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1R,2R,4R,7R)-7-bromo-5-oxo-2-bicyclo[2.2.1]heptanyl] acetate

Drug info:

PubChemData

Smile

C1C[C@@H]([C@@H]([C@@H](C1)OCC2=CC=CC=C2)Cl)O

DOS

IR

Vibrations