Geometry & MOs

Info

ID:	127683
PubChem CID:	51011028
Reduced:	BC16H29 (1)
Stoich.:	AB16C29 (1)
Weight, g/mol:	284.0694
ΔH_f, kcal/mol:	-48.39
Dipole, Da:	0.55
IP(EA), eV:	-9.45(0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1S,4R)-2,7,7-trimethyl-1-bicyclo[2.2.1]hept-2-enyl] trifluoromethanesulfonate

Drug info:

PubChemData

Smile

B1(CCCCC1C)[C@H]2C[C@H]3C[C@H](C2C)C3(C)C

DOS

IR

Vibrations