Geometry & MOs

Info

ID:	137922
PubChem CID:	52283949
Reduced:	NO3C16H17 (1)
Stoich.:	AB3C16D17 (1)
Weight, g/mol:	271.120843
ΔH_f, kcal/mol:	-72.09
Dipole, Da:	2.38
IP(EA), eV:	-9.07(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1C[C@H](OC1)CNC(=O)/C=C/C2=CC3=CC=CC=C3O2

DOS

IR

Vibrations