Geometry & MOs

Info

ID:	224916
PubChem CID:	85707222
Reduced:	O4C13H22 (1)
Stoich.:	A4B13C22 (1)
Weight, g/mol:	254.05315
ΔH_f, kcal/mol:	-170.15
Dipole, Da:	2.61
IP(EA), eV:	-9.82(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-iodo-4-methyloctane

Drug info:

PubChemData

Smile

CCOC(=O)C=CC=CCCCC(OC)OC

DOS

IR

Vibrations