Geometry & MOs

Info

ID:	177361
PubChem CID:	76173380
Reduced:	OC3H4 (7)
Stoich.:	AB3C4 (7)
Weight, g/mol:	368.117235
ΔH_f, kcal/mol:	-263.04
Dipole, Da:	3.14
IP(EA), eV:	-9.14(-1.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[(5-fluoro-3-methyl-1-benzofuran-2-yl)-hydroxymethylidene]-4-methyl-2,6-dioxo-1-propan-2-ylpyridine-3-carbonitrile

Drug info:

PubChemData

Smile

CCCCCCC=COC1=C(C2=C(C(=CC=C2)OCCC(CO)O)OC1=O)O

DOS

IR

Vibrations