Geometry & MOs

Info

ID:	402956
PubChem CID:	135058048
Reduced:	BrNSO11C14H20 (1)
Stoich.:	ABCD11E14F20 (1)
Weight, g/mol:	304.0688
ΔH_f, kcal/mol:	-473.9
Dipole, Da:	4.65
IP(EA), eV:	-10.76(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2E,5E)-1-iodo-6,10-dimethylundeca-2,5,9-triene

Drug info:

PubChemData

Smile

CC(=O)OCC1(C(C(C(C(O1)S(=O)(=O)N)OC(=O)C)OC(=O)C)OC(=O)C)Br

DOS

IR

Vibrations