Geometry & MOs

Info

ID:	139284
PubChem CID:	52502709
Reduced:	SN2O5C19H20 (1)
Stoich.:	AB2C5D19E20 (1)
Weight, g/mol:	372.196154
ΔH_f, kcal/mol:	-128.72
Dipole, Da:	8.23
IP(EA), eV:	-8.59(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-fluorophenyl)-N-[(2S)-2-[(3R)-3-methylpiperidin-1-yl]propyl]-6-oxopyridazine-3-carboxamide

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)[C@H]2CC(=NN2C(=O)CCC(=O)O)C3=CSC=C3)OC

DOS

IR

Vibrations