Geometry & MOs

Info

ID:	382545
PubChem CID:	134973775
Reduced:	PO4H26C28 (1)
Stoich.:	AB4C26D28 (1)
Weight, g/mol:	607.10125
ΔH_f, kcal/mol:	-60.54
Dipole, Da:	8.06
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.948854
Charge, e:	-2

Chem-info

IUPAC name:

[2-[[(4R)-3-[(2-azanidylcarbonylphenoxy)methyl]-2,5-diphenyl-3,4-dihydropyrazol-4-yl]methoxy]benzoyl]azanide;yttrium

Drug info:

PubChemData

Smile

COC(=O)CC(OC1=CC=CC=C1O)[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4

DOS

IR

Vibrations