Geometry & MOs

Info

ID:	329851
PubChem CID:	127246718
Reduced:	OSN3C17H21 (1)
Stoich.:	ABC3D17E21 (1)
Weight, g/mol:	352.176007
ΔH_f, kcal/mol:	2.5
Dipole, Da:	4.17
IP(EA), eV:	-8.57(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[2-(methylamino)pyridin-4-yl]pyrrolidin-1-yl]-2-([1,2,4]triazolo[4,3-b]pyridazin-6-ylamino)ethanone

Drug info:

PubChemData

Smile

CNC1=NC=CC(=C1)C2CCCN2C(=O)CCC3=CC=CS3

DOS

IR

Vibrations