Geometry & MOs

Info

ID:	134427
PubChem CID:	51695064
Reduced:	ON5C14H15 (1)
Stoich.:	AB5C14D15 (1)
Weight, g/mol:	428.135879
ΔH_f, kcal/mol:	58.28
Dipole, Da:	3.49
IP(EA), eV:	-8.96(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

2-(1,3-benzodioxol-5-ylmethyl)-8-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-1H-[1,2,4]triazolo[4,3-a]pyridin-4-ium-3-one

Drug info:

PubChemData

Smile

CC1=CC=CC=C1[C@H]2C(=C(N=C3N2NC=N3)C)C(=O)N

DOS

IR

Vibrations