Geometry & MOs

Info

ID:	147049
PubChem CID:	53786536
Reduced:	FOC23H33 (1)
Stoich.:	ABC23D33 (1)
Weight, g/mol:	270.25588
ΔH_f, kcal/mol:	-96.29
Dipole, Da:	4.77
IP(EA), eV:	-8.46(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,1-ditert-butyl-2-hydroperoxy-2,3,3-trimethylcyclohexane

Drug info:

PubChemData

Smile

C[C@]12CCCC(=CC=C3CCCCC3)[C@@H]1CC[C@@H]2[C@](C)(C=CC=O)F

DOS

IR

Vibrations