Geometry & MOs

Info

ID:	382931
PubChem CID:	134974373
Reduced:	O2H9C12 (2)
Stoich.:	A2B9C12 (2)
Weight, g/mol:	272.162374
ΔH_f, kcal/mol:	-54.15
Dipole, Da:	2.38
IP(EA), eV:	-9.77(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(3'aS,4R,4'S,7'aR)-2,2,2',2'-tetramethylspiro[1,3-dioxolane-4,5'-4,6,7,7a-tetrahydro-3aH-1,3-benzodioxole]-4'-yl]methanol

Drug info:

PubChemData

Smile

COC(=O)/C(=C(\C1=CC=CC=C1)/C(=O)C2=CC=CC=C2)/C(=O)C3=CC=CC=C3

DOS

IR

Vibrations