Geometry & MOs

Info

ID:	165661
PubChem CID:	74580955
Reduced:	ON3C12H15 (2)
Stoich.:	AB3C12D15 (2)
Weight, g/mol:	402.186732
ΔH_f, kcal/mol:	27.8
Dipole, Da:	14.51
IP(EA), eV:	-6.38(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[3-[1-[(2,3-difluorophenyl)methyl]piperidin-1-ium-4-yl]pyrrolidine-1-carbonyl]pyridazin-3-olate

Drug info:

PubChemData

Smile

C[NH+]1CCN(CC1)CC2=NC3=[N+](C(=O)N(C(=O)C3N2CC4=CC=CC5=CC=CC=C54)C)C

DOS

IR

Vibrations