Geometry & MOs

Info

ID:	406313
PubChem CID:	135077206
Reduced:	OC5H7 (4)
Stoich.:	AB5C7 (4)
Weight, g/mol:	270.110338
ΔH_f, kcal/mol:	-192.31
Dipole, Da:	3.31
IP(EA), eV:	-9.57(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-O-butyl 3-O-methyl 3-hydroxy-2-methyl-4-oxocyclopentene-1,3-dicarboxylate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)C(=CCCC1=CC=CC=C1)C(=O)OC(C)(C)C

DOS

IR

Vibrations