Geometry & MOs

Info

ID:	383914
PubChem CID:	134975959
Reduced:	O5C10H18 (1)
Stoich.:	A5B10C18 (1)
Weight, g/mol:	206.094294
ΔH_f, kcal/mol:	-244.72
Dipole, Da:	3.23
IP(EA), eV:	-10.29(0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-(2-methyl-1,3-dioxolan-2-yl)bicyclo[4.2.0]octa-1,3,5-trien-7-ol

Drug info:

PubChemData

Smile

C[C@H]([C@H](C1COC(O1)(C)C)O)C(=O)OC

DOS

IR

Vibrations