Geometry & MOs

Info

ID:	403641
PubChem CID:	135061089
Reduced:	SiO4C26H44 (1)
Stoich.:	AB4C26D44 (1)
Weight, g/mol:	226.156895
ΔH_f, kcal/mol:	-256.6
Dipole, Da:	4.11
IP(EA), eV:	-8.83(0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 3-oxo-1-propan-2-ylcyclopentane-1-carboxylate

Drug info:

PubChemData

Smile

CC(C)[Si](C(C)C)(C(C)C)OC1CC2CC(=CCC/C(=C/COC(=O)C)/C)C(C1)C2=O

DOS

IR

Vibrations