Geometry & MOs

Info

ID:	230859
PubChem CID:	87572163
Reduced:	O5C21H36 (1)
Stoich.:	A5B21C36 (1)
Weight, g/mol:	482.230935
ΔH_f, kcal/mol:	-247.55
Dipole, Da:	2.12
IP(EA), eV:	-9.86(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCCCCCCC(C(COCC)OC(=O)C(=C)C)OC(=O)C(=C)C

DOS

IR

Vibrations