Geometry & MOs

Info

ID:	380709
PubChem CID:	134971236
Reduced:	O5C13H22 (2)
Stoich.:	A5B13C22 (2)
Weight, g/mol:	394.99591
ΔH_f, kcal/mol:	-515.87
Dipole, Da:	5.78
IP(EA), eV:	-10.2(0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

carbanide;1-[(3R)-3-cyclopenta-1,4-dien-1-ylbutyl]-2-iodocyclopenta-1,3-diene;iron(5+)

Drug info:

PubChemData

Smile

CC(C)(C)C(=O)OCC1[C@@H](C(C([C@@H](O1)O)OC(=O)C(C)(C)C)OC(=O)C(C)(C)C)OC(=O)C(C)(C)C

DOS

IR

Vibrations