Geometry & MOs

Info

ID:	226071
PubChem CID:	87322630
Reduced:	NRuC15H21 (1)
Stoich.:	ABC15D21 (1)
Weight, g/mol:	321.10304
ΔH_f, kcal/mol:	138.08
Dipole, Da:	8.92
IP(EA), eV:	-7.75(-1.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

carbanide;cyclohepta-1,3-diene;1,2-dihydropyrrol-2-ide;ruthenium(6+)

Drug info:

PubChemData

Smile

CC1=[C-]N(C(=C1C)C)C.C1CC=CC=[C-]C1.[Ru+2]

DOS

IR

Vibrations