Geometry & MOs

Info

ID:	5403
PubChem CID:	13111
Reduced:	NC22H44 (1)
Stoich.:	AB22C44 (1)
Weight, g/mol:	322.347375
ΔH_f, kcal/mol:	-50.54
Dipole, Da:	0.34
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.750940
Charge, e:	1

Chem-info

IUPAC name:

2-dodecyl-2-methyl-2-azoniaspiro[4.5]decane

Drug info:

PubChemData

Smile

CCCCCCCCCCCC[N+]1(CCC2(C1)CCCCC2)C

DOS

IR

Vibrations