Geometry & MOs

Info

ID:	242472
PubChem CID:	96100297
Reduced:	SO2N5C14H19 (1)
Stoich.:	AB2C5D14E19 (1)
Weight, g/mol:	318.144038
ΔH_f, kcal/mol:	-26.15
Dipole, Da:	2.94
IP(EA), eV:	-9.19(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-methyl-2-[2-[(2S)-2-(5-methyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]-2-oxoethyl]pyridazin-3-one

Drug info:

PubChemData

Smile

CCC1=NC(=C(S1)C(=O)N2CCO[C@H](C2)C3=NNC(=N3)C)C

DOS

IR

Vibrations