Geometry & MOs

Info

ID:	399487
PubChem CID:	135040529
Reduced:	OC11H20 (1)
Stoich.:	AB11C20 (1)
Weight, g/mol:	149.113125
ΔH_f, kcal/mol:	-60.52
Dipole, Da:	2.03
IP(EA), eV:	-10.02(2.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-hydroperoxy-3-methyl-4-(trideuteriomethyl)pent-4-en-2-ol

Drug info:

PubChemData

Smile

CCCCCC1C2C1(CCC2)O

DOS

IR

Vibrations