Geometry & MOs

Info

ID:	424139
PubChem CID:	135121467
Reduced:	NOH6C8 (2)
Stoich.:	ABC6D8 (2)
Weight, g/mol:	276.043402
ΔH_f, kcal/mol:	8.5
Dipole, Da:	2.59
IP(EA), eV:	-9.24(-1.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-fluorophenyl)-2-(3-hydroxy-6-methyl-4-oxopyran-2-yl)ethane-1,2-dione

Drug info:

PubChemData

Smile

CNC1=CC(=O)C2=CC(=NC=C2C1=O)C3=CC=CC=C3

DOS

IR

Vibrations