Geometry & MOs

Info

ID:	190172
PubChem CID:	77961753
Reduced:	ON7H19C20 (1)
Stoich.:	AB7C19D20 (1)
Weight, g/mol:	422.163729
ΔH_f, kcal/mol:	85.53
Dipole, Da:	3.34
IP(EA), eV:	-8.68(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-amino-5-methyl-1-[3-[[2-(1,3-thiazol-2-yl)imidazo[1,5-b]pyridazin-7-yl]amino]pyridin-4-yl]piperidin-4-ol

Drug info:

PubChemData

Smile

CC(C1NC2=CC=CN2C(=O)N1C3=CC=CC=C3)NC4=NC=NC5=C4C=CN5

DOS

IR

Vibrations