Geometry & MOs

Info

ID:	315323
PubChem CID:	126625623
Reduced:	O5C8H10 (1)
Stoich.:	A5B8C10 (1)
Weight, g/mol:	248.104859
ΔH_f, kcal/mol:	-175.51
Dipole, Da:	4.18
IP(EA), eV:	-10.36(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-methyl-7-oxabicyclo[2.2.1]hepta-1(6),4-dien-2-yl) 7-oxabicyclo[2.2.1]heptane-2-carboxylate

Drug info:

PubChemData

Smile

CC1(OC2C(=O)O[C@H]3C2(C3O)O1)C

DOS

IR

Vibrations