Geometry & MOs

Info

ID:	434320
PubChem CID:	135174684
Reduced:	N2O3C20H24 (1)
Stoich.:	A2B3C20D24 (1)
Weight, g/mol:	667.482526
ΔH_f, kcal/mol:	-58.76
Dipole, Da:	4.5
IP(EA), eV:	-9.01(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-methyl-1-[3-[4-methyl-2-[5-methyl-2-(4-methylpiperazin-1-yl)phenyl]phenoxy]propyl]-2-[[1-[2-(4-methylphenoxy)ethyl]piperidin-4-yl]methyl]piperazine

Drug info:

PubChemData

Smile

COC(=O)C1=CC=C(C=C1)COC2=CC=CC(=C2)CNCC3CNC3

DOS

IR

Vibrations