Geometry & MOs

Info

ID:	46977
PubChem CID:	10528734
Reduced:	O3N4H28C29 (1)
Stoich.:	A3B4C28D29 (1)
Weight, g/mol:	480.258835
ΔH_f, kcal/mol:	-30.02
Dipole, Da:	8.06
IP(EA), eV:	-9.36(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[bis(4-fluorophenyl)methoxy]ethyl]-4-[3-(3-methoxyphenyl)propyl]piperazine

Drug info:

PubChemData

Smile

C1CC(CCC1CNC(=O)C2=NC3=CC=CC=C3C=C2)C(=O)NNC(=O)C4=CC=CC5=CC=CC=C54

DOS

IR

Vibrations