Geometry & MOs

Info

ID:	323134
PubChem CID:	126672829
Reduced:	SO3N4C18H22 (1)
Stoich.:	AB3C4D18E22 (1)
Weight, g/mol:	314.116761
ΔH_f, kcal/mol:	-22.1
Dipole, Da:	4.57
IP(EA), eV:	-8.15(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-(6-pyridin-4-ylimidazo[1,2-b]pyridazin-3-yl)phenyl]ethanone

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)C2=CN=C3N2N=C(S3)NCC4CCOCC4)OC

DOS

IR

Vibrations