Geometry & MOs

Info

ID:	422929
PubChem CID:	135118637
Reduced:	ON2C10H13 (2)
Stoich.:	AB2C10D13 (2)
Weight, g/mol:	403.200825
ΔH_f, kcal/mol:	-47.53
Dipole, Da:	5.81
IP(EA), eV:	-9.3(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CCC2=C(C1)C(=NN2)CCC(=O)N[C@@H]3COC[C@H]3CC4=CC=NC=C4

DOS

IR

Vibrations