Geometry & MOs

Info

ID:

408553

PubChem CID:

135081319

Reduced:

C5H6 (4)

Stoich.:

A5B6 (4)

Weight, g/mol:

1519.32821

ΔHf, kcal/mol:

63.32

Dipole, Da:

0.09

IP(EA), eV:

-8.9(-0.18)

Spin(Sz, S2):

None, None

Charge, e:

-1

Chem-info

IUPAC name:

(1Z,5Z)-cycloocta-1,5-diene;ditert-butyl-[[(7S)-2-phenyl-6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl]oxy]phosphane;iridium;tetrakis[3,5-bis(trifluoromethyl)phenyl]boranuide

Drug info:

PubChemData

Smile

C1CC[C]2[CH][C]([CH][C]2C1)CC[C]3[CH][C]4CCCC[C]4[CH]3

DOS

IR

Vibrations