Geometry & MOs

Info

ID:	269718
PubChem CID:	103618764
Reduced:	BrFION2H9C15 (1)
Stoich.:	ABCDE2F9G15 (1)
Weight, g/mol:	297.056799
ΔH_f, kcal/mol:	7.63
Dipole, Da:	7.69
IP(EA), eV:	-9.51(-1.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-chloro-N-[1-(5-fluoro-2-methoxyphenyl)ethyl]furan-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1F)C#N)NC(=O)C2=C(C=CC(=C2)Br)I

DOS

IR

Vibrations