Geometry & MOs

Info

ID:	408964
PubChem CID:	135081737
Reduced:	IrOPC23H33 (1)
Stoich.:	ABCD23E33 (1)
Weight, g/mol:	172.125201
ΔH_f, kcal/mol:	273.01
Dipole, Da:	40.03
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.847656
Charge, e:	0

Chem-info

IUPAC name:

(4S,5S)-pentaspiro[2.0.0.0.26.15.0.210.04.13]tridecane

Drug info:

PubChemData

Smile

CC(P(C(C)C)C1=C(CC2=CC=CC=C12)O)C.C1/C=C\CC/C=C\C1.[Ir]

DOS

IR

Vibrations