Geometry & MOs

Info

ID:	144255
PubChem CID:	53338910
Reduced:	ClON3H18C24 (1)
Stoich.:	ABC3D18E24 (1)
Weight, g/mol:	637.198695
ΔH_f, kcal/mol:	85.83
Dipole, Da:	3.82
IP(EA), eV:	-9.06(-1.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,1,1,3,3,3-hexafluoro-2-[4-[4-[2-[4-(pyridin-4-ylmethyl)piperazin-1-yl]ethyl]phenyl]phenyl]propan-2-ol;2,2,2-trifluoroacetic acid

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CC(C#N)C2=C(C=NN(C2=O)CC3=CC=CC4=CC=CC=C43)Cl

DOS

IR

Vibrations