Geometry & MOs

Info

ID:	446988
PubChem CID:	135279326
Reduced:	N2O3C13H20 (1)
Stoich.:	A2B3C13D20 (1)
Weight, g/mol:	562.340673
ΔH_f, kcal/mol:	-92.75
Dipole, Da:	3.32
IP(EA), eV:	-8.82(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-[[4-[[2-[2-(3-methoxypropoxy)ethoxy]phenyl]methoxy]phenyl]methoxy]propyl]-4-(4-methylphenyl)piperazine

Drug info:

PubChemData

Smile

CC(C)C(=O)COC1=CN=C(C=C1)OCCNC

DOS

IR

Vibrations