Geometry & MOs

Info

ID:	179441
PubChem CID:	76483171
Reduced:	O6C31H48 (1)
Stoich.:	A6B31C48 (1)
Weight, g/mol:	349.90284
ΔH_f, kcal/mol:	-343.39
Dipole, Da:	7.18
IP(EA), eV:	-9.51(0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,2-diiodo-1-methylcyclohexane

Drug info:

PubChemData

Smile

CC(C1CCC2C1(CCC3C2CC=C4C3(C(CC(C4)OC(=O)C)OC(=O)C)C)C)C(=O)CCC(C)(C)O

DOS

IR

Vibrations