Geometry & MOs

Info

ID:	157881
PubChem CID:	56437669
Reduced:	N2O2F3H15C20 (1)
Stoich.:	A2B2C3D15E20 (1)
Weight, g/mol:	419.162075
ΔH_f, kcal/mol:	-130.76
Dipole, Da:	2.96
IP(EA), eV:	-9.17(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[5-(4-fluorophenyl)furan-2-yl]methyl]-1-[5-(trifluoromethyl)pyridin-2-yl]piperidin-4-amine

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)/C(=C\C(=O)OCC2=CC=C(C=C2)N3C=CC=N3)/C(F)(F)F

DOS

IR

Vibrations