Geometry & MOs

Info

ID:	389304
PubChem CID:	134992116
Reduced:	CuK2H3C4N5 (1)
Stoich.:	AB2C3D4E5 (1)
Weight, g/mol:	222.069222
ΔH_f, kcal/mol:	115.19
Dipole, Da:	10.19
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.766790
Charge, e:	0

Chem-info

IUPAC name:

methyl (2S)-2-fluoro-1-oxo-3,4-dihydronaphthalene-2-carboxylate

Drug info:

PubChemData

Smile

[C-]#N.[C-]#N.[C-]#N.[C-]#N.N.[K+].[K+].[Cu+2]

DOS

IR

Vibrations