Geometry & MOs

Info

ID:	279428
PubChem CID:	103843897
Reduced:	NO2F3C15H20 (1)
Stoich.:	AB2C3D15E20 (1)
Weight, g/mol:	259.097521
ΔH_f, kcal/mol:	-247.94
Dipole, Da:	7.15
IP(EA), eV:	-9.95(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-chloro-N-[2-ethyl-2-(hydroxymethyl)butyl]furan-2-carboxamide

Drug info:

PubChemData

Smile

CCC(CC)(CNC(=O)C1=CC=CC=C1C(F)(F)F)CO

DOS

IR

Vibrations