Geometry & MOs

Info

ID:	50328
PubChem CID:	12012848
Reduced:	ON2H7C12 (2)
Stoich.:	AB2C7D12 (2)
Weight, g/mol:	396.23006
ΔH_f, kcal/mol:	129.26
Dipole, Da:	12.34
IP(EA), eV:	-9.94(-1.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1S,2R)-2-phenylcyclohexyl] 3-tert-butylperoxy-3-phenylpropanoate

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)COC2=CC(=C(C=C2)C#N)C#N)COC3=CC(=C(C=C3)C#N)C#N

DOS

IR

Vibrations