Geometry & MOs

Info

ID:	412381
PubChem CID:	135085272
Reduced:	BON3F4C22H24 (1)
Stoich.:	ABC3D4E22F24 (1)
Weight, g/mol:	567.92624
ΔH_f, kcal/mol:	-312.92
Dipole, Da:	11.89
IP(EA), eV:	-9.68(-1.29)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

[(1R,3aS)-2-naphthalen-1-yl-1-oxo-3a,4,5,6-tetrahydro-3H-pyrrolo[1,2-c][1,3,2]diazaphosphol-1-yl]azanide;praseodymium

Drug info:

PubChemData

Smile

[B-](F)(F)(F)F.CCC1=C(C(=CC=C1)CC)N2C=[N+]3C4[C@@H](CC5=CC=CC=C45)OCC3=N2

DOS

IR

Vibrations