Geometry & MOs

Info

ID:	318545
PubChem CID:	126651847
Reduced:	N2O2F3C25H31 (1)
Stoich.:	A2B2C3D25E31 (1)
Weight, g/mol:	454.223198
ΔH_f, kcal/mol:	-230.4
Dipole, Da:	6.95
IP(EA), eV:	-8.84(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCCC(=O)N1CCN(CC1)CC2=CC=C(C=C2)C3=CC=C(C=C3)C(C)(C(F)(F)F)O

DOS

IR

Vibrations