Geometry & MOs

Info

ID:	306278
PubChem CID:	125003523
Reduced:	FN2O2H23C26 (1)
Stoich.:	AB2C2D23E26 (1)
Weight, g/mol:	414.174356
ΔH_f, kcal/mol:	-45.29
Dipole, Da:	3.74
IP(EA), eV:	-9.12(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(3R)-3-[6-(4-fluorophenyl)pyridin-2-yl]piperidin-1-yl]-(2-methyl-1-benzofuran-5-yl)methanone

Drug info:

PubChemData

Smile

CC1=CC2=C(O1)C=CC(=C2)C(=O)N3CCC[C@@H](C3)C4=CC=CC(=N4)C5=CC=C(C=C5)F

DOS

IR

Vibrations