Geometry & MOs

Info

ID:	423252
PubChem CID:	135119173
Reduced:	SN3O5C14H21 (1)
Stoich.:	AB3C5D14E21 (1)
Weight, g/mol:	403.200825
ΔH_f, kcal/mol:	-179.43
Dipole, Da:	4.16
IP(EA), eV:	-9.56(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6,8-dimethoxy-4-methyl-2-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]quinoline

Drug info:

PubChemData

Smile

CN(C)S(=O)(=O)C[C@@H]1COC[C@@H]1NC(=O)C2=CN=C(C=C2)OC

DOS

IR

Vibrations