Geometry & MOs

Info

ID:	380621
PubChem CID:	134971116
Reduced:	ClNC4H10 (2)
Stoich.:	ABC4D10 (2)
Weight, g/mol:	242.131654
ΔH_f, kcal/mol:	-108.32
Dipole, Da:	8.28
IP(EA), eV:	-10.46(1.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1R,2R,3S,6R)-2-azaniumyl-3,6-diethylcyclohexyl]azanium;dichloride

Drug info:

PubChemData

Smile

C[C@H]1CC[C@@H]([C@H]([C@@H]1[NH3+])[NH3+])C.[Cl-].[Cl-]

DOS

IR

Vibrations