Geometry & MOs

Info

ID:	184144
PubChem CID:	77117790
Reduced:	O3N5C23H25 (1)
Stoich.:	A3B5C23D25 (1)
Weight, g/mol:	298.155552
ΔH_f, kcal/mol:	-26.76
Dipole, Da:	6.05
IP(EA), eV:	-9.26(-1.77)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

2,4-dimethyl-5-(4-propan-2-ylphenyl)-1,3a-dihydropyrazolo[4,3-c]pyridin-5-ium-3,6-dione

Drug info:

PubChemData

Smile

CCCOC1=CC=C(C=C1)C2=C3C(=NC(=O)C2C#N)NC(=NC3=O)N4CCC(CC4)C

DOS

IR

Vibrations