Geometry & MOs

Info

ID:	5752
PubChem CID:	13660
Reduced:	NC12H24 (1)
Stoich.:	AB12C24 (1)
Weight, g/mol:	182.190875
ΔH_f, kcal/mol:	1.32
Dipole, Da:	0.19
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.750731
Charge, e:	1

Chem-info

IUPAC name:

1,3,3,8,8-pentamethyl-3-azoniabicyclo[3.2.1]octane

Drug info:

PubChemData

Smile

CC1(C2CCC1(C[N+](C2)(C)C)C)C

DOS

IR

Vibrations