Geometry & MOs

Info

ID:	47915
PubChem CID:	10535818
Reduced:	OC6H9 (2)
Stoich.:	AB6C9 (2)
Weight, g/mol:	194.13068
ΔH_f, kcal/mol:	-110.21
Dipole, Da:	1.81
IP(EA), eV:	-9.74(0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4R,5R,6R)-4-ethenyl-2,2,5-trimethyl-6-prop-2-ynyl-1,3-dioxane

Drug info:

PubChemData

Smile

CC1CCC2(C1)C(=O)CC(C2=O)(C)C

DOS

IR

Vibrations