Geometry & MOs

Info

ID:	407044
PubChem CID:	135079208
Reduced:	BrNSO2C19H32 (1)
Stoich.:	ABCD2E19F32 (1)
Weight, g/mol:	374.186265
ΔH_f, kcal/mol:	-84.4
Dipole, Da:	6.06
IP(EA), eV:	-7.33(-0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1(C2CCC1(C(C2S(C)(CC(=O)N(CC=C)CC=C)Br)O)C)C

DOS

IR

Vibrations