Geometry & MOs

Info

ID:	229392
PubChem CID:	87567540
Reduced:	ClN2F7H18C23 (1)
Stoich.:	AB2C7D18E23 (1)
Weight, g/mol:	286.214409
ΔH_f, kcal/mol:	-326.09
Dipole, Da:	6.94
IP(EA), eV:	-9.53(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

bis(2-ethylbutyl) butanedioate

Drug info:

PubChemData

Smile

C1CC(=CCC1/C=C/C2=NC3=C(C=C(C=C3N2)C4=CC=CC=C4C(F)(F)F)C(F)(F)F)F.Cl

DOS

IR

Vibrations