Geometry & MOs

Info

ID:

180541

PubChem CID:

76650861

Reduced:

O3N7C16H20 (1)

Stoich.:

A3B7C16D20 (1)

Weight, g/mol:

194.074308

ΔHf, kcal/mol:

48.94

Dipole, Da:

5.3

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.767106

Charge, e:

 0

Chem-info

IUPAC name:

2-fluoro-2-methyl-1-phenylbutane-1,3-dione

Drug info:

PubChemData

Smile

C1C(CN1C2=NC=C(N=C2)C3NN[NH+](N3)CC(=O)O)OC4=CC=CC=C4

DOS

IR

Vibrations