Geometry & MOs

Info

ID:	304513
PubChem CID:	124756120
Reduced:	ON4C21H24 (1)
Stoich.:	AB4C21D24 (1)
Weight, g/mol:	369.185255
ΔH_f, kcal/mol:	56.56
Dipole, Da:	6.21
IP(EA), eV:	-8.87(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-N-[[(2R)-4-fluoro-7-pyridin-4-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]-1-methylpiperidine-3-carboxamide

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)CN2CCC[C@@H]2C3=CC=CC=C3)CN4C=NC=N4

DOS

IR

Vibrations