Geometry & MOs

Info

ID:	132514
PubChem CID:	51373238
Reduced:	FON4H15C18 (1)
Stoich.:	ABC4D15E18 (1)
Weight, g/mol:	328.104579
ΔH_f, kcal/mol:	41.2
Dipole, Da:	6.1
IP(EA), eV:	-9.16(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

ethyl 6-amino-5-cyano-4-methyl-1-(4-nitrophenyl)pyridazin-1-ium-3-carboxylate

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C2=NC3=NC=NN3[C@H](C2)C4=CC=C(C=C4)F

DOS

IR

Vibrations