Geometry & MOs

Info

ID:	220473
PubChem CID:	85195485
Reduced:	O3C13H18 (1)
Stoich.:	A3B13C18 (1)
Weight, g/mol:	222.125594
ΔH_f, kcal/mol:	-114.6
Dipole, Da:	1.38
IP(EA), eV:	-9.56(0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 7-(cyclopenten-1-yl)-2-oxabicyclo[4.1.0]heptane-7-carboxylate

Drug info:

PubChemData

Smile

COC1CCC(O1)COCC2=CC=CC=C2

DOS

IR

Vibrations