Geometry & MOs

Info

ID:	299655
PubChem CID:	117688306
Reduced:	FN5O5C29H36 (1)
Stoich.:	AB5C5D29E36 (1)
Weight, g/mol:	328.26136
ΔH_f, kcal/mol:	-186.3
Dipole, Da:	5.52
IP(EA), eV:	-9.16(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(5-hydroxy-1,3,3-trimethylcyclohexyl)-7,7-dimethyloctaneperoxoic acid

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1F)OCC2CC2)C3=NC=NC4=C3NC(=C4C(=O)NC5CCN(CC5)OC(=O)OC(C)(C)C)C

DOS

IR

Vibrations