Geometry & MOs

Info

ID:	338056
PubChem CID:	127258687
Reduced:	INO4C10H16 (1)
Stoich.:	ABC4D10E16 (1)
Weight, g/mol:	286.00659
ΔH_f, kcal/mol:	-178.4
Dipole, Da:	6.59
IP(EA), eV:	-10.01(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-iodobutyl 3-hydroxybutanoate

Drug info:

PubChemData

Smile

CC(CC(=O)OC(=O)[C@@]1(CC(CN1)I)C)O

DOS

IR

Vibrations