Geometry & MOs

Info

ID:	84261
PubChem CID:	49865147
Reduced:	NO3C12H17 (1)
Stoich.:	AB3C12D17 (1)
Weight, g/mol:	460.177837
ΔH_f, kcal/mol:	-115.53
Dipole, Da:	3.76
IP(EA), eV:	-8.34(0.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(CNC(=O)C)OC1=CC=C(C=C1)OC

DOS

IR

Vibrations