Geometry & MOs

Info

ID:	54714
PubChem CID:	17389146
Reduced:	ClN4O4H17C20 (1)
Stoich.:	AB4C4D17E20 (1)
Weight, g/mol:	540.131656
ΔH_f, kcal/mol:	167.09
Dipole, Da:	13.24
IP(EA), eV:	-9.95(-2.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5-chloro-3-methyl-1-phenylpyrazol-4-yl)-triphenylphosphanium;tetrafluoroborate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)[N+]2=NC(=NN2C3=CC=CC=C3)C4=CC=CC=C4.[O-]Cl(=O)(=O)=O

DOS

IR

Vibrations