Geometry & MOs

Info

ID:	137921
PubChem CID:	52283948
Reduced:	FN3O3C23H30 (1)
Stoich.:	AB3C3D23E30 (1)
Weight, g/mol:	271.120843
ΔH_f, kcal/mol:	-138.3
Dipole, Da:	3.94
IP(EA), eV:	-8.83(-0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-(1-benzofuran-2-yl)-N-[[(2S)-oxolan-2-yl]methyl]prop-2-enamide

Drug info:

PubChemData

Smile

CC[C@](C)(CNC(=O)NC1=CC=CC(=C1)COC2=CC(=CC=C2)F)N3CCOCC3

DOS

IR

Vibrations