Geometry & MOs

Info

ID:	163513
PubChem CID:	58023174
Reduced:	SN2O2H24C25 (1)
Stoich.:	AB2C2D24E25 (1)
Weight, g/mol:	324.195011
ΔH_f, kcal/mol:	-5.73
Dipole, Da:	2.78
IP(EA), eV:	-9.01(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	2

Chem-info

IUPAC name:

N-(3,3-dimethylbutan-2-yl)-1-pyridin-1-ium-4-yl-2H-imidazo[1,5-a]pyridin-4-ium-3-carboxamide

Drug info:

PubChemData

Smile

C1COCCC1CCN2C(=NC3=C(C2=O)C=CS3)C4=CC=C(C=C4)C5=CC=CC=C5

DOS

IR

Vibrations