Geometry & MOs

Info

ID:	13438
PubChem CID:	232232
Reduced:	OC7H10 (2)
Stoich.:	AB7C10 (2)
Weight, g/mol:	220.14633
ΔH_f, kcal/mol:	-86.47
Dipole, Da:	2.51
IP(EA), eV:	-9.44(0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-ethyl-5,5-dimethyl-2-phenyl-1,3-dioxane

Drug info:

PubChemData

Smile

CCC1(OCC(CO1)(C)C)C2=CC=CC=C2

DOS

IR

Vibrations