Geometry & MOs

Info

ID:	388130
PubChem CID:	134988279
Reduced:	INOC13H16 (1)
Stoich.:	ABCD13E16 (1)
Weight, g/mol:	284.02733
ΔH_f, kcal/mol:	-16.87
Dipole, Da:	3.89
IP(EA), eV:	-9.41(-1.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-iodoethyl)heptanoic acid

Drug info:

PubChemData

Smile

C1CCN(C1)C(=O)C(CC2=CC=CC=C2)I

DOS

IR

Vibrations