Geometry & MOs

Info

ID:	388469
PubChem CID:	134989241
Reduced:	O3C10H10 (1)
Stoich.:	A3B10C10 (1)
Weight, g/mol:	250.156895
ΔH_f, kcal/mol:	-51.87
Dipole, Da:	1.6
IP(EA), eV:	-9.87(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

octyl 4-formylcyclopenta-1,3-diene-1-carboxylate

Drug info:

PubChemData

Smile

COC(=O)/C=C/C1=CC2C(O2)C=C1

DOS

IR

Vibrations