Geometry & MOs

Info

ID:	398062
PubChem CID:	135031589
Reduced:	OC13H22 (1)
Stoich.:	AB13C22 (1)
Weight, g/mol:	320.198759
ΔH_f, kcal/mol:	-62.04
Dipole, Da:	4.03
IP(EA), eV:	-9.74(0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3,4-dimethoxy-5-(3-methylbut-2-enyl)phenyl]-5,5-dimethyl-1,3-dioxane

Drug info:

PubChemData

Smile

CC1(CCCC(=C)[C@@H]1CCCC=O)C

DOS

IR

Vibrations