Geometry & MOs

Info

ID:	407045
PubChem CID:	135079209
Reduced:	BSF4C19H27 (1)
Stoich.:	ABC4D19E27 (1)
Weight, g/mol:	287.183347
ΔH_f, kcal/mol:	-345.23
Dipole, Da:	19.62
IP(EA), eV:	-9.83(-1.59)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

4,7,7-trimethyl-6-[(E)-3-phenylprop-2-enyl]-6-thioniabicyclo[3.2.1]octane

Drug info:

PubChemData

Smile

[B-](F)(F)(F)F.CC1CCC2CC1[S+](C2(C)C)C/C=C/C3=CC=CC=C3

DOS

IR

Vibrations