Geometry & MOs

Info

ID:	167960
PubChem CID:	74906252
Reduced:	O2N3C15H15 (1)
Stoich.:	A2B3C15D15 (1)
Weight, g/mol:	360.111494
ΔH_f, kcal/mol:	9.67
Dipole, Da:	6.14
IP(EA), eV:	-9.5(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

2-(4-chlorophenyl)-4-methyl-5-(oxolan-2-ylmethyl)-1,3a-dihydropyrazolo[4,3-c]pyridin-5-ium-3,6-dione

Drug info:

PubChemData

Smile

COC(=O)C(=CN(CCC#N)CC1=CC=CC=C1)C#N

DOS

IR

Vibrations