Geometry & MOs

Info

ID:	326631
PubChem CID:	126687920
Reduced:	INH2C4 (2)
Stoich.:	ABC2D4 (2)
Weight, g/mol:	269.97529
ΔH_f, kcal/mol:	101.36
Dipole, Da:	2.15
IP(EA), eV:	-9.94(-1.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-iodo-5-methyl-4-oxohexanoic acid

Drug info:

PubChemData

Smile

C1=CC2=C(C=C1I)N=CN=C2I

DOS

IR

Vibrations