Geometry & MOs

Info

ID:	231108
PubChem CID:	87572652
Reduced:	BPF4C20H44 (1)
Stoich.:	ABC4D20E44 (1)
Weight, g/mol:	537.236749
ΔH_f, kcal/mol:	-432.25
Dipole, Da:	23.77
IP(EA), eV:	-10.68(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

[B-](F)(F)(F)F.CCCCCCC(CCCC)C(CCCC)(CCCC)[PH3+]

DOS

IR

Vibrations