Geometry & MOs

Info

ID:	230818
PubChem CID:	87572063
Reduced:	Cl3N4C16H21 (1)
Stoich.:	A3B4C16D21 (1)
Weight, g/mol:	520.2102
ΔH_f, kcal/mol:	8.69
Dipole, Da:	7.25
IP(EA), eV:	-9.02(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CNC1(CC1)CN(C)C2=CC(=C(N=C2)Cl)C3=CC=NC=C3.Cl.Cl

DOS

IR

Vibrations