Geometry & MOs

Info

ID:	190399
PubChem CID:	77997499
Reduced:	FPN2O6C31H42 (1)
Stoich.:	ABC2D6E31F42 (1)
Weight, g/mol:	370.186572
ΔH_f, kcal/mol:	-241.01
Dipole, Da:	3.05
IP(EA), eV:	-8.53(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	2

Chem-info

IUPAC name:

2-(3-aminopiperidin-1-ium-1-ylidene)-6-methyl-5-[(4-methylpyrimidin-2-yl)methyl]imidazo[4,5-d]pyridazin-3-ium-4,7-dione

Drug info:

PubChemData

Smile

CC1(OC2CC3C4CCC5=CC6=NN(C=C6CC5(C4(C(CC3(C2(O1)C(=O)CO)C)O)F)C)CC#CCCOCP)C

DOS

IR

Vibrations