Geometry & MOs

Info

ID:

312709

PubChem CID:

126607545

Reduced:

FON6C30H35 (1)

Stoich.:

ABC6D30E35 (1)

Weight, g/mol:

467.223372

ΔHf, kcal/mol:

13.65

Dipole, Da:

5.17

IP(EA), eV:

 -8.63(-0.88)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

6-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]-2-[(1E,3E)-3-methyl-4-(1-pyridin-2-ylethylideneamino)penta-1,3-dienyl]pyridazin-3-imine

Drug info:

PubChemData

Smile

CC1CC2(CC(CC(C1)(C2)C(=O)NC3=CN4C(=N3)C=CC(=N4)C5=CN(N=C5C6=CC=C(C=C6)F)C)(C)C)C

DOS

IR

Vibrations