Geometry & MOs

Info

ID:	399000
PubChem CID:	135036854
Reduced:	OC5H6 (3)
Stoich.:	AB5C6 (3)
Weight, g/mol:	258.146724
ΔH_f, kcal/mol:	-65.26
Dipole, Da:	5.66
IP(EA), eV:	-9.62(0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3aR,5R,6aR)-5-(2-methoxypropan-2-yloxymethyl)-2,2-dimethyl-6-methylidene-3a,6a-dihydrofuro[2,3-d][1,3]dioxole

Drug info:

PubChemData

Smile

C[C@H](C(C#C)C(C)OCC1=CC=CC=C1)C(=O)O

DOS

IR

Vibrations