Geometry & MOs

Info

ID:	230754
PubChem CID:	87571894
Reduced:	PF2O3C13H17 (1)
Stoich.:	AB2C3D13E17 (1)
Weight, g/mol:	527.101675
ΔH_f, kcal/mol:	-264.89
Dipole, Da:	1.56
IP(EA), eV:	-9.36(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

2-[[(E)-(5-cyanopyrazolo[1,5-a]pyridin-8-ium-3-ylidene)methyl]-(pyridin-3-ylmethyl)amino]-N-methyl-5-nitrobenzenesulfonohydrazide;hydrochloride

Drug info:

PubChemData

Smile

CCOP(=O)(C/C=C/C1=C(C=CC(=C1)F)F)OCC

DOS

IR

Vibrations