Geometry & MOs

Info

ID:	150654
PubChem CID:	53790348
Reduced:	BrClO4H14C17 (1)
Stoich.:	ABC4D14E17 (1)
Weight, g/mol:	344.029484
ΔH_f, kcal/mol:	-102.64
Dipole, Da:	2.18
IP(EA), eV:	-9.13(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-O-methyl 4-O-(1,1,2,2,3,3,4,4-octafluoropentyl) but-2-enedioate

Drug info:

PubChemData

Smile

CC(C=CC(=O)O)OC1=CC=C(C=C1)OC2=C(C=C(C=C2)Br)Cl

DOS

IR

Vibrations