Geometry & MOs

Info

ID:	124809
PubChem CID:	50896895
Reduced:	NO5C17H25 (1)
Stoich.:	AB5C17D25 (1)
Weight, g/mol:	258.034315
ΔH_f, kcal/mol:	-183.81
Dipole, Da:	4.17
IP(EA), eV:	-8.78(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

cyclopenta-1,3-diene;cyclopenta-2,4-dien-1-ylidene(ethoxy)methanolate;iron(2+)

Drug info:

PubChemData

Smile

COC1=CC(=CC(=C1OC)OC)C(=O)OCCCN2CCCC2

DOS

IR

Vibrations