Geometry & MOs

Info

ID:	169888
PubChem CID:	75162148
Reduced:	O6C20H35 (2)
Stoich.:	A6B20C35 (2)
Weight, g/mol:	196.109944
ΔH_f, kcal/mol:	-604.21
Dipole, Da:	7.64
IP(EA), eV:	-9.21(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(furan-2-yl)-2,2,6-trimethyl-1,3-dioxane

Drug info:

PubChemData

Smile

CCC(C)CC(C)C=C(C)C(C(C)C=C(C)CC(C)C=C(C)CC(C)C=C(C)C(=O)OCC(C(C(CO)O)O)O)OC1C(C(C(C(O1)CO)O)O)O

DOS

IR

Vibrations