Geometry & MOs

Info

ID:	228049
PubChem CID:	87563283
Reduced:	BrFN3O4H13C14 (1)
Stoich.:	ABC3D4E13F14 (1)
Weight, g/mol:	452.38656
ΔH_f, kcal/mol:	-67.71
Dipole, Da:	6.03
IP(EA), eV:	-9.85(-2.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

bis(5-methylundecyl) (E)-but-2-enedioate

Drug info:

PubChemData

Smile

CN(C(=O)C1=NN=C(C(C1=O)OC)C2=C(C(=CC=C2)Br)F)OC

DOS

IR

Vibrations