Geometry & MOs

Info

ID:	395370
PubChem CID:	135025289
Reduced:	MnF2H3C6 (1)
Stoich.:	AB2C3D6 (1)
Weight, g/mol:	502.200491
ΔH_f, kcal/mol:	37.82
Dipole, Da:	5.49
IP(EA), eV:	-8.31(-1.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[(5S,8S)-5,8-di(cyclopenta-2,4-dien-1-yl)-6,7-dimethyl-1,3-dioxo-2-phenyl-8H-[1,2,4]triazolo[1,2-a]pyridazin-5-yl]oxy]benzonitrile

Drug info:

PubChemData

Smile

C1=CC(=[C-]C(=C1)F)F.[Mn]

DOS

IR

Vibrations