Geometry & MOs

Info

ID:	180148
PubChem CID:	76585876
Reduced:	RuN4C8H12 (1)
Stoich.:	AB4C8D12 (1)
Weight, g/mol:	505.294057
ΔH_f, kcal/mol:	271.13
Dipole, Da:	10.31
IP(EA), eV:	-6.88(-3.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-butyl-5-[2-(1-butyl-3,3-dimethylindol-2-ylidene)ethylidene]-3-(4-oxohex-5-enyl)-1,3-diazinane-2,4,6-trione

Drug info:

PubChemData

Smile

CN1C=CN=C1.CN1C=CN=C1.[Ru]

DOS

IR

Vibrations