Geometry & MOs

Info

ID:	12931
PubChem CID:	218645
Reduced:	FCl2N2O3C23H31 (1)
Stoich.:	AB2C2D3E23F31 (1)
Weight, g/mol:	472.169576
ΔH_f, kcal/mol:	-190.8
Dipole, Da:	4.2
IP(EA), eV:	-8.98(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-fluorophenyl)-4-[4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]butan-1-one;dihydrochloride

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)OCCN2CCN(CC2)CCCC(=O)C3=CC=C(C=C3)F.Cl.Cl

DOS

IR

Vibrations