Geometry & MOs

Info

ID:	434538
PubChem CID:	135175146
Reduced:	N2O11C22H44 (1)
Stoich.:	A2B11C22D44 (1)
Weight, g/mol:	452.42026
ΔH_f, kcal/mol:	-473.03
Dipole, Da:	9.13
IP(EA), eV:	-9.53(0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-methyl-4-[3-[4-[2-[6-(4-methylpiperazin-1-yl)hexoxy]ethyl]piperazin-1-yl]propyl]piperazine

Drug info:

PubChemData

Smile

CNC(=O)COCCOCCOCCOCCOCN(C)C(=O)COCCOCCOCCOC

DOS

IR

Vibrations