Geometry & MOs

Info

ID:	128208
PubChem CID:	51035449
Reduced:	ON3F7H24C26 (1)
Stoich.:	AB3C7D24E26 (1)
Weight, g/mol:	523.205831
ΔH_f, kcal/mol:	-319.94
Dipole, Da:	3.18
IP(EA), eV:	-8.94(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,1,1,3,3,3-hexafluoro-2-[2-methyl-4-[4-[[4-(pyridin-4-ylmethyl)piperazin-1-yl]methyl]phenyl]phenyl]propan-2-ol

Drug info:

PubChemData

Smile

C1CN(CCN1CC2=CC=C(C=C2)C3=C(C=C(C=C3)C(C(F)(F)F)(C(F)(F)F)O)F)CC4=CC=NC=C4

DOS

IR

Vibrations