Geometry & MOs

Info

ID:	84262
PubChem CID:	49865153
Reduced:	ClON6C25H25 (1)
Stoich.:	ABC6D25E25 (1)
Weight, g/mol:	380.196074
ΔH_f, kcal/mol:	69.04
Dipole, Da:	4.82
IP(EA), eV:	-9.05(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[6-(2-hydroxyethylamino)imidazo[1,2-b]pyridazin-3-yl]-N-[[(2S)-pyrrolidin-2-yl]methyl]benzamide

Drug info:

PubChemData

Smile

C1C[C@H](NC1)CNC(=O)C2=CC=C(C=C2)C3=CN=C4N3N=C(C=C4)NCC5=CC(=CC=C5)Cl

DOS

IR

Vibrations