Geometry & MOs

Info

ID:	283315
PubChem CID:	103973640
Reduced:	IO4C12H13 (1)
Stoich.:	AB4C12D13 (1)
Weight, g/mol:	232.131074
ΔH_f, kcal/mol:	-146.32
Dipole, Da:	5.02
IP(EA), eV:	-9.49(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-ethoxycarbonyl-7-hydroxy-2-methylheptanoic acid

Drug info:

PubChemData

Smile

CCOC(=O)C(CC1=CC=C(C=C1)I)C(=O)O

DOS

IR

Vibrations