Geometry & MOs

Info

ID:	399771
PubChem CID:	135042488
Reduced:	OC5H6 (3)
Stoich.:	AB5C6 (3)
Weight, g/mol:	219.138505
ΔH_f, kcal/mol:	-86.24
Dipole, Da:	1.39
IP(EA), eV:	-9.17(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

(E,3E)-3-(3-butylcyclopenta-2,4-dien-1-ylidene)-1-ethoxyprop-1-en-1-olate

Drug info:

PubChemData

Smile

CCCCC#CC1=CC=CC=C1COC(=O)OC

DOS

IR

Vibrations