Geometry & MOs

Info

ID:	52025
PubChem CID:	12014797
Reduced:	N2C5H15 (1)
Stoich.:	A2B5C15 (1)
Weight, g/mol:	439.06248
ΔH_f, kcal/mol:	34.33
Dipole, Da:	2.36
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.759724
Charge, e:	0

Chem-info

IUPAC name:

1-methyl-4-(111C)methyl-1,4-diazoniabicyclo[2.2.2]octane;trifluoromethanesulfonate

Drug info:

PubChemData

Smile

CN(C)[N+](C)(C)C

DOS

IR

Vibrations