Geometry & MOs

Info

ID:	389865
PubChem CID:	134995648
Reduced:	ClO2C9H17 (1)
Stoich.:	AB2C9D17 (1)
Weight, g/mol:	172.109944
ΔH_f, kcal/mol:	-125.81
Dipole, Da:	2.58
IP(EA), eV:	-10.07(0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-5-tert-butylperoxypent-3-en-2-one

Drug info:

PubChemData

Smile

CCCCO[C@@H]1[C@H](CCCO1)Cl

DOS

IR

Vibrations