Geometry & MOs

Info

ID:	184319
PubChem CID:	77145507
Reduced:	O5C11H14 (1)
Stoich.:	A5B11C14 (1)
Weight, g/mol:	364.03102
ΔH_f, kcal/mol:	-140.24
Dipole, Da:	4.47
IP(EA), eV:	-10.53(0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-[5-(3-bromophenyl)-2,4-diformylcyclopenten-1-yl]acetate

Drug info:

PubChemData

Smile

C1CC2C3C(C1O2)C(OC3=O)OCC4CO4

DOS

IR

Vibrations