Geometry & MOs

Info

ID:	381037
PubChem CID:	134971662
Reduced:	O6C19H30 (1)
Stoich.:	A6B19C30 (1)
Weight, g/mol:	418.271924
ΔH_f, kcal/mol:	-283.78
Dipole, Da:	6.19
IP(EA), eV:	-10.17(0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4R,5R)-4-[3-(2-hexyl-1,3-dioxolan-2-yl)prop-1-enyl]-2,2-dimethyl-5-phenylmethoxy-1,3-dioxane

Drug info:

PubChemData

Smile

CCCCCCCC(=O)CC/C=C/[C@@H]1COC(=O)C1(CC(=O)OC)O

DOS

IR

Vibrations