Geometry & MOs

Info

ID:	230532
PubChem CID:	87571270
Reduced:	ClOH9C15 (1)
Stoich.:	ABC9D15 (1)
Weight, g/mol:	508.2102
ΔH_f, kcal/mol:	19.27
Dipole, Da:	3.51
IP(EA), eV:	-9.17(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C=CC3=C2C=CC(=C3C=O)Cl

DOS

IR

Vibrations