Geometry & MOs

Info

ID:	220917
PubChem CID:	85240418
Reduced:	ClN3F5C9H9 (1)
Stoich.:	AB3C5D9E9 (1)
Weight, g/mol:	290.188195
ΔH_f, kcal/mol:	-190.49
Dipole, Da:	3.67
IP(EA), eV:	-9.06(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2,6-dimethylphenyl) 3-hydroxy-2,6-dimethyloct-7-enoate

Drug info:

PubChemData

Smile

C[NH+](C)C=NNC1=C(C(=C(C(=C1F)F)F)F)F.[Cl-]

DOS

IR

Vibrations