Geometry & MOs

Info

ID:	280459
PubChem CID:	103849404
Reduced:	NCl2O3C13H15 (1)
Stoich.:	AB2C3D13E15 (1)
Weight, g/mol:	315.01062
ΔH_f, kcal/mol:	-138.79
Dipole, Da:	2.09
IP(EA), eV:	-9.73(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-(5-bromofuran-2-yl)-N-[(3-hydroxyoxolan-3-yl)methyl]prop-2-enamide

Drug info:

PubChemData

Smile

C1COCC1(CNC(=O)CC2=C(C=CC=C2Cl)Cl)O

DOS

IR

Vibrations