Geometry & MOs

Info

ID:	84193
PubChem CID:	49864932
Reduced:	OCl2N6H28C31 (1)
Stoich.:	AB2C6D28E31 (1)
Weight, g/mol:	502.107565
ΔH_f, kcal/mol:	93.56
Dipole, Da:	4.09
IP(EA), eV:	-9.03(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[6-[(3,4-dichlorophenyl)methylamino]imidazo[1,2-b]pyridazin-3-yl]-N-(pyridin-4-ylmethyl)benzamide

Drug info:

PubChemData

Smile

C1CN(C[C@H]1NC(=O)C2=CC=C(C=C2)C3=CN=C4N3N=C(C=C4)NCC5=CC(=C(C=C5)Cl)Cl)CC6=CC=CC=C6

DOS

IR

Vibrations