Geometry & MOs

Info

ID:	404385
PubChem CID:	135066058
Reduced:	BrPN2O3H22C24 (1)
Stoich.:	ABC2D3E22F24 (1)
Weight, g/mol:	576.03691
ΔH_f, kcal/mol:	-63.58
Dipole, Da:	6.74
IP(EA), eV:	-9.53(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-bromophenyl)-4-[(4-chlorophenyl)-diphenylphosphorylmethyl]-5-methyl-1H-pyrazol-3-one

Drug info:

PubChemData

Smile

C[C@]1([C@@H](N=CN1P(=O)(C2=CC=CC=C2)C3=CC=CC=C3)C(=O)OC)C4=CC(=CC=C4)Br

DOS

IR

Vibrations