Geometry & MOs

Info

ID:	227689
PubChem CID:	87562235
Reduced:	N2O5C12H14 (1)
Stoich.:	A2B5C12D14 (1)
Weight, g/mol:	607.129038
ΔH_f, kcal/mol:	-167.87
Dipole, Da:	4.41
IP(EA), eV:	-10.16(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(3Z)-2-oxo-3-[[3-[(E)-2-pyridin-1-ium-4-ylethenyl]-1H-indazol-6-yl]methylidene]-1H-indol-5-yl]azanium;2,2,2-trifluoroacetate

Drug info:

PubChemData

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DOS

IR

Vibrations