Geometry & MOs

Info

ID:	273189
PubChem CID:	103770654
Reduced:	NO2F3C14H18 (1)
Stoich.:	AB2C3D14E18 (1)
Weight, g/mol:	329.06266
ΔH_f, kcal/mol:	-225.79
Dipole, Da:	1.78
IP(EA), eV:	-10.11(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-(5-bromofuran-2-yl)-N-(3-ethyl-2-hydroxypentyl)prop-2-enamide

Drug info:

PubChemData

Smile

CCC(CC)C(CNC(=O)C1=CC(=C(C(=C1)F)F)F)O

DOS

IR

Vibrations