Geometry & MOs

Info

ID:

312708

PubChem CID:

126607544

Reduced:

FSN8C30H31 (1)

Stoich.:

ABC8D30E31 (1)

Weight, g/mol:

514.285638

ΔHf, kcal/mol:

139.16

Dipole, Da:

3.25

IP(EA), eV:

 -8.52(-1.08)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[6-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-3,3,5,7-tetramethylbicyclo[3.3.1]nonane-1-carboxamide

Drug info:

PubChemData

Smile

C/C(=C\C1=CN2C(=N1)C=CC(=N2)C3=C(N(N=C3C4=CC=C(C=C4)F)C)N5CCCCC5)/NC(=S)C6=CC=NCC6

DOS

IR

Vibrations