Geometry & MOs

Info

ID:

327496

PubChem CID:

126690133

Reduced:

FS2N7C24H28 (1)

Stoich.:

AB2C7D24E28 (1)

Weight, g/mol:

478.251481

ΔHf, kcal/mol:

85.07

Dipole, Da:

3.97

IP(EA), eV:

 -8.51(-0.84)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[1-[2-ethyl-3-[methyl-[4-[(3E)-6-methylhepta-1,3,5-trien-3-yl]-1,3-thiazol-2-yl]amino]imidazo[1,2-b]pyridazin-6-yl]piperidin-3-yl]methanol

Drug info:

PubChemData

Smile

CCC1=C(N2C(=N1)C=CC(=N2)N3CCC(CC3)NSC)N(C)C4=NC(=CS4)C5=CC=C(C=C5)F

DOS

IR

Vibrations