Geometry & MOs

Info

ID:	224410
PubChem CID:	85342621
Reduced:	N2O3C17H23 (1)
Stoich.:	A2B3C17D23 (1)
Weight, g/mol:	426.09032
ΔH_f, kcal/mol:	-61.65
Dipole, Da:	7.75
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.870758
Charge, e:	0

Chem-info

IUPAC name:

[2-(2,2-dimethylpropanoyloxy)-3-hydroxy-4-iodocyclohexyl] 2,2-dimethylpropanoate

Drug info:

PubChemData

Smile

CCOCCOC(=O)C(=C(C(C)C)NC[C]1[CH][CH][CH][CH]1)C#N

DOS

IR

Vibrations