Geometry & MOs

Info

ID:	6983
PubChem CID:	70879
Reduced:	ClNC10H20 (2)
Stoich.:	ABC10D20 (2)
Weight, g/mol:	378.256855
ΔH_f, kcal/mol:	-129.33
Dipole, Da:	1.74
IP(EA), eV:	-8.72(1.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[4-[(cyclohexylamino)methyl]cyclohexyl]methyl]cyclohexanamine;dihydrochloride

Drug info:

PubChemData

Smile

C1CCC(CC1)NCC2CCC(CC2)CNC3CCCCC3.Cl.Cl

DOS

IR

Vibrations