Geometry & MOs

Info

ID:	359785
PubChem CID:	127299829
Reduced:	ON5C19H23 (1)
Stoich.:	AB5C19D23 (1)
Weight, g/mol:	314.185509
ΔH_f, kcal/mol:	31.48
Dipole, Da:	2.31
IP(EA), eV:	-9.23(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

cyclopropyl-[4-[(3-ethyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)amino]piperidin-1-yl]methanone

Drug info:

PubChemData

Smile

CC1=CC(=NC(=N1)C2=CC=CC=N2)NC3CCN(CC3)C(=O)C4CC4

DOS

IR

Vibrations