Geometry & MOs

Info

ID:	231112
PubChem CID:	87572663
Reduced:	FON2H13C17 (1)
Stoich.:	ABC2D13E17 (1)
Weight, g/mol:	484.2102
ΔH_f, kcal/mol:	39.23
Dipole, Da:	2.34
IP(EA), eV:	-9.44(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-chloropyridin-4-yl)-8-(cyclopropylamino)-6-[[4-(2-hydroxyethylamino)cyclohexyl]amino]imidazo[1,2-b]pyridazine-3-carboxamide

Drug info:

PubChemData

Smile

CN(C(=O)C1=C(C=NC2=CC=CC=C21)C3=CC=CC=C3)F

DOS

IR

Vibrations