Geometry & MOs

Info

ID:	449355
PubChem CID:	135297899
Reduced:	O4C29H42 (1)
Stoich.:	A4B29C42 (1)
Weight, g/mol:	482.09541
ΔH_f, kcal/mol:	-185.0
Dipole, Da:	3.02
IP(EA), eV:	-9.14(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

heptyl 4-[2-(4-iodophenoxy)ethoxy]benzoate

Drug info:

PubChemData

Smile

CCCCCCCCCCCCCCOC(=O)C1=CC=C(C=C1)OCCOC2=CC=CC=C2

DOS

IR

Vibrations