Geometry & MOs

Info

ID:	230677
PubChem CID:	87571638
Reduced:	O2C13H26 (2)
Stoich.:	A2B13C26 (2)
Weight, g/mol:	527.216014
ΔH_f, kcal/mol:	-278.61
Dipole, Da:	10.78
IP(EA), eV:	-10.38(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCCCCCCCCCC(=O)O.CCCCCCCCCCCC(=O)O.C=C

DOS

IR

Vibrations