Geometry & MOs

Info

ID:	151511
PubChem CID:	53837744
Reduced:	O3H18C20 (1)
Stoich.:	A3B18C20 (1)
Weight, g/mol:	359.136887
ΔH_f, kcal/mol:	-20.21
Dipole, Da:	3.14
IP(EA), eV:	-8.53(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzyl 1-(2-acetyloxyacetyl)-2-oxo-3,3a,4,5,6,6a-hexahydrocyclopenta[b]pyrrole-4-carboxylate

Drug info:

PubChemData

Smile

C1C2=C3C(C=CC=C3C4C2C=CC=C4)C5=C1C(C([C@H]6[C@H]5O6)O)O

DOS

IR

Vibrations