Geometry & MOs

Info

ID:	381719
PubChem CID:	134972532
Reduced:	O2C9H16 (1)
Stoich.:	A2B9C16 (1)
Weight, g/mol:	248.141244
ΔH_f, kcal/mol:	-93.91
Dipole, Da:	2.24
IP(EA), eV:	-9.82(0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4R)-2,2-dimethyl-5-methylidene-4-(phenylmethoxymethyl)-1,3-dioxane

Drug info:

PubChemData

Smile

C/C=C(\C)/C(=O)CC(C)OC

DOS

IR

Vibrations