Geometry & MOs

Info

ID:	226725
PubChem CID:	87557862
Reduced:	ORuCl2N2C31H39 (1)
Stoich.:	ABC2D2E31F39 (1)
Weight, g/mol:	430.240899
ΔH_f, kcal/mol:	-9.73
Dipole, Da:	5.33
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.761277
Charge, e:	0

Chem-info

IUPAC name:

4-(9H-fluoren-1-yl)-N,N-dimethyl-3-(2,3,4-trimethylbenzenecarboximidoyl)aniline

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=C1)C)[N+]2(CCNC2=[Ru](=CC3=CC=CC=C3OC(C)C)(Cl)Cl)C4=C(C=C(C=C4C)C)C)C

DOS

IR

Vibrations