Geometry & MOs

Info

ID:

312727

PubChem CID:

126607595

Reduced:

NO4C31H41 (1)

Stoich.:

AB4C31D41 (1)

Weight, g/mol:

484.13832

ΔHf, kcal/mol:

-178.37

Dipole, Da:

3.21

IP(EA), eV:

 -8.61(-0.68)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[6-[3-(4-fluorocyclohexa-1,3-dien-1-yl)-1-methylpyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-2-(trifluoromethyl)pyrimidine-5-carboxamide

Drug info:

PubChemData

Smile

CCCC(C)N1C2=CC=CC=C2C=C(C1=O)C3=CC=C(C=C3)OC(C)(C)C(C)(C)OC(=O)C(C)CC

DOS

IR

Vibrations