Geometry & MOs

Info

ID:	186909
PubChem CID:	77504142
Reduced:	NSO9C24H31 (1)
Stoich.:	ABC9D24E31 (1)
Weight, g/mol:	336.206245
ΔH_f, kcal/mol:	-355.55
Dipole, Da:	4.94
IP(EA), eV:	-8.46(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-ethyl-8-N-phenyl-6-N-piperidin-3-ylimidazo[1,2-b]pyridazine-6,8-diamine

Drug info:

PubChemData

Smile

CN1CCC23C4C1CC5=C(C=C(C(=C52)OC3C(CC4)OC6C(C(C(C(O6)C(=O)O)O)O)O)OC)S

DOS

IR

Vibrations