Geometry & MOs

Info

ID:	128209
PubChem CID:	51035450
Reduced:	ON3F6C27H27 (1)
Stoich.:	AB3C6D27E27 (1)
Weight, g/mol:	498.18543
ΔH_f, kcal/mol:	-285.21
Dipole, Da:	1.89
IP(EA), eV:	-8.65(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,1,1,3,3,3-hexafluoro-2-[4-[4-[[4-(1H-imidazol-5-ylmethyl)piperazin-1-yl]methyl]phenyl]phenyl]propan-2-ol

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C2=CC=C(C=C2)CN3CCN(CC3)CC4=CC=NC=C4)C(C(F)(F)F)(C(F)(F)F)O

DOS

IR

Vibrations