Geometry & MOs

Info

ID:	412245
PubChem CID:	135085129
Reduced:	BON3F4C21H22 (1)
Stoich.:	ABC3D4E21F22 (1)
Weight, g/mol:	696.280606
ΔH_f, kcal/mol:	-319.64
Dipole, Da:	15.17
IP(EA), eV:	-10.09(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	-2

Chem-info

IUPAC name:

carbanide;dichlorozirconium(2+);2-[(1S,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]-5H-inden-5-ide

Drug info:

PubChemData

Smile

[B-](F)(F)(F)F.CC1=CC(=C(C(=C1)C)N2C=[N+]3C4[C@@H](CC5=CC=CC=C45)OCC3=N2)C

DOS

IR

Vibrations