Geometry & MOs

Info

ID:	381678
PubChem CID:	134972477
Reduced:	O6C13H21 (1)
Stoich.:	A6B13C21 (1)
Weight, g/mol:	274.141638
ΔH_f, kcal/mol:	-220.65
Dipole, Da:	2.3
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.752301
Charge, e:	0

Chem-info

IUPAC name:

(3aR,5R,6S,6aS)-5-(2,2-dimethyl-1,3-dioxolan-4-yl)-6-methoxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole

Drug info:

PubChemData

Smile

CC1(OCC(O1)[C@@H]2[C@@H]([C@H]3[C@H](O2)OC(O3)(C)C)O[CH2-])C

DOS

IR

Vibrations