Geometry & MOs

Info

ID:	242448
PubChem CID:	96100146
Reduced:	ON3C7H9 (2)
Stoich.:	AB3C7D9 (2)
Weight, g/mol:	332.159689
ΔH_f, kcal/mol:	22.99
Dipole, Da:	3.49
IP(EA), eV:	-9.13(0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-[(3R)-3-(3,5-dimethyl-1,2,4-triazol-1-yl)piperidin-1-yl]-2-oxoethyl]-1H-pyridazine-3,6-dione

Drug info:

PubChemData

Smile

CC1=NC(=NN1)[C@@H]2CN(CCO2)C(=O)C3=NNC(=C3)C4CC4

DOS

IR

Vibrations