Geometry & MOs

Info

ID:	403413
PubChem CID:	135060134
Reduced:	ON3H15C25 (1)
Stoich.:	AB3C15D25 (1)
Weight, g/mol:	160.109944
ΔH_f, kcal/mol:	111.82
Dipole, Da:	4.66
IP(EA), eV:	-9.11(-1.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4R)-4-hydroperoxy-6-methylheptan-2-one

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C(=O)C2=C3C(=CN=C2C4=CC=C(C=C4)C#N)C5=CC=CC=C5N3

DOS

IR

Vibrations