Geometry & MOs

Info

ID:	50235
PubChem CID:	12012750
Reduced:	O2C6H11 (1)
Stoich.:	A2B6C11 (1)
Weight, g/mol:	228.136159
ΔH_f, kcal/mol:	-80.79
Dipole, Da:	3.1
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.752441
Charge, e:	0

Chem-info

IUPAC name:

2-(5,5-dimethyl-1,3-dioxan-2-ylidene)-5,5-dimethyl-1,3-dioxane

Drug info:

PubChemData

Smile

CC1(CO[CH]OC1)C

DOS

IR

Vibrations