Geometry & MOs

Info

ID:	327503
PubChem CID:	126690154
Reduced:	NO2C7H12 (2)
Stoich.:	AB2C7D12 (2)
Weight, g/mol:	480.12023
ΔH_f, kcal/mol:	-212.07
Dipole, Da:	5.89
IP(EA), eV:	-9.89(0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]-6-(1-methylsulfanyl-3,6-dihydro-2H-pyridin-4-yl)imidazo[1,2-b]pyridazine-2-carbaldehyde

Drug info:

PubChemData

Smile

CCCCC(C)(C)OC(=O)N1CCC2(C1)CNC(=O)O2

DOS

IR

Vibrations