Geometry & MOs

Info

ID:	216840
PubChem CID:	85086864
Reduced:	ClN3O3C14H14 (1)
Stoich.:	AB3C3D14E14 (1)
Weight, g/mol:	307.95211
ΔH_f, kcal/mol:	-37.49
Dipole, Da:	3.16
IP(EA), eV:	-9.05(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-iodocyclopentyl) 2,2,2-trifluoroacetate

Drug info:

PubChemData

Smile

CCOC=NC1=C(C(=NO1)C)C(=O)NC2=CC=C(C=C2)Cl

DOS

IR

Vibrations