Geometry & MOs

Info

ID:	407083
PubChem CID:	135079289
Reduced:	NO2C17H21 (1)
Stoich.:	AB2C17D21 (1)
Weight, g/mol:	388.201915
ΔH_f, kcal/mol:	-30.1
Dipole, Da:	4.56
IP(EA), eV:	-8.08(0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN1C2=CC=CC=C2C=C1CC(CC=C=C)(CO)CO

DOS

IR

Vibrations