Geometry & MOs

Info

ID:	351494
PubChem CID:	127280382
Reduced:	ON3C9H12 (2)
Stoich.:	AB3C9D12 (2)
Weight, g/mol:	342.180424
ΔH_f, kcal/mol:	-16.43
Dipole, Da:	7.67
IP(EA), eV:	-9.35(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-pyrrolidin-1-yl-1-[4-([1,2,4]triazolo[4,3-a]pyridine-6-carbonyl)piperazin-1-yl]ethanone

Drug info:

PubChemData

Smile

CC1=NN=C2N1C=C(C=C2)C(=O)N3CCN(CC3)C(=O)CN4CCCC4

DOS

IR

Vibrations