Geometry & MOs

Info

ID:	396785
PubChem CID:	135029219
Reduced:	ON2H12C18 (1)
Stoich.:	AB2C12D18 (1)
Weight, g/mol:	298.100523
ΔH_f, kcal/mol:	50.95
Dipole, Da:	1.56
IP(EA), eV:	-8.68(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-(3-fluoro-5-phenyl-1-benzofuran-2-yl)propanoate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=CC=CC3=C2N=C4C=CC=CN4C3=O

DOS

IR

Vibrations