Geometry & MOs

Info

ID:	230664
PubChem CID:	87571594
Reduced:	F2N3C20H25 (1)
Stoich.:	A2B3C20D25 (1)
Weight, g/mol:	550.141469
ΔH_f, kcal/mol:	-48.76
Dipole, Da:	4.86
IP(EA), eV:	-8.48(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

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C.C1CC2CN(C1)CCN(C2)C3=CN=CC(=C3)C4=CC(=C(C=C4)F)F

DOS

IR

Vibrations