Geometry & MOs

Info

ID:	318550
PubChem CID:	126651857
Reduced:	F3N3O5H26C27 (1)
Stoich.:	A3B3C5D26E27 (1)
Weight, g/mol:	523.205831
ΔH_f, kcal/mol:	-229.6
Dipole, Da:	10.4
IP(EA), eV:	-9.41(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C1=CC=C(C=C1)C2=CC=C(C=C2)CN3CCN(CC3)C(=O)OC4=CC=C(C=C4)[N+](=O)[O-])(C(F)(F)F)O

DOS

IR

Vibrations