Geometry & MOs

Info

ID:	54493
PubChem CID:	17388772
Reduced:	IN2O3C22H41 (1)
Stoich.:	AB2C3D22E41 (1)
Weight, g/mol:	402.130072
ΔH_f, kcal/mol:	-137.14
Dipole, Da:	13.96
IP(EA), eV:	-6.36(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,3-bis(4-methylpiperazin-1-yl)propan-2-ol;tetrahydrochloride

Drug info:

PubChemData

Smile

CCCCCCCC(=O)OC(CN1CCCC1=O)C[N+]2(CCCCCC2)C.[I-]

DOS

IR

Vibrations