Geometry & MOs

Info

ID:	168791
PubChem CID:	75020002
Reduced:	ClFN2O5C29H32 (1)
Stoich.:	ABC2D5E29F32 (1)
Weight, g/mol:	574.229071
ΔH_f, kcal/mol:	-188.45
Dipole, Da:	4.38
IP(EA), eV:	-8.55(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-[3-[(2-methoxyphenyl)methoxy]propoxy]phenyl]-6-[[3-(trifluoromethoxy)phenyl]methoxymethyl]piperazin-2-one

Drug info:

PubChemData

Smile

COC1=CC=CC=C1COCCCOC2=CC=C(C=C2)N3C(CNCC3=O)COCC4=C(C=C(C=C4)F)Cl

DOS

IR

Vibrations