Geometry & MOs

Info

ID:	362514
PubChem CID:	127308054
Reduced:	SO2N4C18H24 (1)
Stoich.:	AB2C4D18E24 (1)
Weight, g/mol:	343.200825
ΔH_f, kcal/mol:	-5.12
Dipole, Da:	6.39
IP(EA), eV:	-9.17(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-[3-(pyrrolidine-1-carbonyl)piperidin-1-yl]ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one

Drug info:

PubChemData

Smile

CC(C1=NC(=NO1)C2=CC=CS2)N3CCCC(C3)C(=O)N4CCCC4

DOS

IR

Vibrations