Geometry & MOs

Info

ID:	15163
PubChem CID:	431614
Reduced:	O4H14C17 (1)
Stoich.:	A4B14C17 (1)
Weight, g/mol:	282.089209
ΔH_f, kcal/mol:	7.43
Dipole, Da:	3.33
IP(EA), eV:	-9.19(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-oxospiro[3aH-cyclohepta[b]furan-3,7'-bicyclo[4.1.0]hepta-2,4-diene]-8-yl) acetate

Drug info:

PubChemData

Smile

CC(=O)OC1=C2C(C=CC=C1)C3(C4C3C=CC=C4)C(=O)O2

DOS

IR

Vibrations