Geometry & MOs

Info

ID:	4450
PubChem CID:	11425
Reduced:	IOC12H22 (2)
Stoich.:	ABC12D22 (2)
Weight, g/mol:	618.14307
ΔH_f, kcal/mol:	-158.72
Dipole, Da:	4.7
IP(EA), eV:	-9.11(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 13,14-diiododocos-13-enoate

Drug info:

PubChemData

Smile

CCCCCCCCC(=C(CCCCCCCCCCCC(=O)OCC)I)I

DOS

IR

Vibrations