Geometry & MOs

Info

ID:	428581
PubChem CID:	135167695
Reduced:	O4C25H42 (1)
Stoich.:	A4B25C42 (1)
Weight, g/mol:	498.450892
ΔH_f, kcal/mol:	-120.76
Dipole, Da:	1.27
IP(EA), eV:	-9.54(1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-[2-(2,2-dimethylpropoxy)ethoxy]propyl]-4-[3-[4-[3-[(2-methylpropan-2-yl)oxy]propyl]piperazin-1-yl]propyl]piperazine

Drug info:

PubChemData

Smile

CC(C)(C)OCCCCOCC#CC12CC(C1)(C2)COC3CC(C3)OC(C)(C)C

DOS

IR

Vibrations