Geometry & MOs

Info

ID:	11274
PubChem CID:	112831
Reduced:	O2C7H14 (2)
Stoich.:	A2B7C14 (2)
Weight, g/mol:	260.198759
ΔH_f, kcal/mol:	-99.99
Dipole, Da:	1.29
IP(EA), eV:	-8.96(0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-butyl-3,6,6,9,9-pentamethyl-1,2,4,5-tetraoxonane

Drug info:

PubChemData

Smile

CCCCC1(OOC(CCC(OO1)(C)C)(C)C)C

DOS

IR

Vibrations