Geometry & MOs

Info

ID:	411963
PubChem CID:	135084819
Reduced:	ON2F6H27C28 (1)
Stoich.:	AB2C6D27E28 (1)
Weight, g/mol:	500.214677
ΔH_f, kcal/mol:	-262.76
Dipole, Da:	12.89
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.963372
Charge, e:	0

Chem-info

IUPAC name:

carbanide;cyclohexyl-bis[(5-trimethylsilylcyclopenta-1,3-dien-1-yl)methyl]phosphane;iron(4+)

Drug info:

PubChemData

Smile

C=CC1C[N+]2(CCC1CC2[C@@H](C3=CC=NC4=CC=CC=C34)O)CC5=C(C=CC(=C5)C(F)(F)F)C(F)(F)F

DOS

IR

Vibrations