Geometry & MOs

Info

ID:	284910
PubChem CID:	104082421
Reduced:	O4C11H20 (1)
Stoich.:	A4B11C20 (1)
Weight, g/mol:	403.98692
ΔH_f, kcal/mol:	-198.25
Dipole, Da:	3.17
IP(EA), eV:	-9.96(0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-cyano-2-iodo-6-nitrophenoxy)hexanoic acid

Drug info:

PubChemData

Smile

CCCCC(C(=O)O)OCC1CCOC1

DOS

IR

Vibrations