Geometry & MOs

Info

ID:	225404
PubChem CID:	85756732
Reduced:	O2F3H3N4C6 (1)
Stoich.:	A2B3C3D4E6 (1)
Weight, g/mol:	350.151809
ΔH_f, kcal/mol:	-146.26
Dipole, Da:	5.15
IP(EA), eV:	-10.45(-2.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,6-bis(4-ethylphenyl)-1,6-dihydroxyhexa-1,5-diene-3,4-dione

Drug info:

PubChemData

Smile

C1C(=O)N=C2N=C(NN2C1=O)C(F)(F)F

DOS

IR

Vibrations