Geometry & MOs

Info

ID:	84242
PubChem CID:	49865094
Reduced:	ON6C19H22 (1)
Stoich.:	AB6C19D22 (1)
Weight, g/mol:	378.216809
ΔH_f, kcal/mol:	53.55
Dipole, Da:	5.85
IP(EA), eV:	-8.82(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CNC1=NN2C(=NC=C2C3=CC=C(C=C3)C(=O)NC[C@@H]4CCCN4)C=C1

DOS

IR

Vibrations