Geometry & MOs

Info

ID:	222270
PubChem CID:	85295893
Reduced:	OC20H32 (1)
Stoich.:	AB20C32 (1)
Weight, g/mol:	292.167459
ΔH_f, kcal/mol:	-70.7
Dipole, Da:	1.49
IP(EA), eV:	-9.5(1.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-but-3-en-2-yl-2-(3,4-dimethoxyphenyl)-5-methyl-1,3-dioxane

Drug info:

PubChemData

Smile

CC1(C=CCC2(C1CCC3(C2CCC(O3)(C)C=C)C)C)C

DOS

IR

Vibrations