Geometry & MOs

Info

ID:

408961

PubChem CID:

135081733

Reduced:

PN4O15C50H81 (1)

Stoich.:

AB4C15D50E81 (1)

Weight, g/mol:

575.22929

ΔHf, kcal/mol:

-700.43

Dipole, Da:

4.37

IP(EA), eV:

 -8.83(-0.43)

Spin(Sz, S2):

 None, None

Charge, e:

 -1

Chem-info

IUPAC name:

(1Z,5Z)-cycloocta-1,5-diene;3-di(propan-2-yl)phosphanyl-N,N-dimethyl-1H-inden-1-id-2-amine;iridium

Drug info:

PubChemData

Smile

C[C@@H]1[C@@H](C[C@]2(C([C@@H]([C@@H](O2)[C@@H](C[C@H]([C@@H](C)C([C@@H](C)/C=C(\C)/C(=C/C=C/C(=C/C#N)/C)/C)O)O)OC)OP(=O)(O)O)(C)C)OC1C/C=C/C3=COC(=N3)[C@H](C)CCNC(=O)[C@@H]([C@@H]([C@@H](COC)N(C)C)O)O)O

DOS

IR

Vibrations