Geometry & MOs

Info

ID:	18776
PubChem CID:	547991
Reduced:	IO2C5H9 (1)
Stoich.:	AB2C5D9 (1)
Weight, g/mol:	227.96473
ΔH_f, kcal/mol:	-88.89
Dipole, Da:	2.66
IP(EA), eV:	-9.82(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-iodobutanoate

Drug info:

PubChemData

Smile

COC(=O)CCCI

DOS

IR

Vibrations