Geometry & MOs

Info

ID:	5636
PubChem CID:	13421
Reduced:	ClNC12H24 (1)
Stoich.:	ABC12D24 (1)
Weight, g/mol:	217.159728
ΔH_f, kcal/mol:	-74.64
Dipole, Da:	6.2
IP(EA), eV:	-9.47(1.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-ethyl-1,8,8-trimethyl-3-azoniabicyclo[3.2.1]octane;chloride

Drug info:

PubChemData

Smile

CC[NH+]1CC2CCC(C1)(C2(C)C)C.[Cl-]

DOS

IR

Vibrations