Geometry & MOs

Info

ID:	319979
PubChem CID:	126657722
Reduced:	ON3F5H24C25 (1)
Stoich.:	AB3C5D24E25 (1)
Weight, g/mol:	462.204274
ΔH_f, kcal/mol:	-218.37
Dipole, Da:	1.5
IP(EA), eV:	-8.99(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,2,2,2-tetrafluoro-1-[4-[4-[[4-[(1-methylimidazol-4-yl)methyl]piperazin-1-yl]methyl]phenyl]phenyl]ethanol

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations