Geometry & MOs

Info

ID:	315566
PubChem CID:	126627716
Reduced:	ClO2N4F5H26C29 (1)
Stoich.:	AB2C4D5E26F29 (1)
Weight, g/mol:	202.120509
ΔH_f, kcal/mol:	-261.82
Dipole, Da:	6.55
IP(EA), eV:	-8.88(-1.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6,6-diethoxyhexane-2,4-dione

Drug info:

PubChemData

Smile

C[C@@H]1C(CC[C@@H](C2=NC=CC(=C2)C3=C(C=CN3C)NC1=O)N4CCC(=CC4=O)C5=C(C=CC(=C5F)Cl)C(F)(F)F)F

DOS

IR

Vibrations