Geometry & MOs

Info

ID:

449311

PubChem CID:

135297539

Reduced:

ON7H27C30 (1)

Stoich.:

AB7C27D30 (1)

Weight, g/mol:

477.197631

ΔHf, kcal/mol:

168.47

Dipole, Da:

8.56

IP(EA), eV:

 -8.5(-2.08)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[2-[4-[3-(2,6-difluorophenyl)-5-ethyl-7-methyl-5,6-dihydrocyclopenta[c]pyridazin-7-yl]pyrimidin-2-yl]-1,3-oxazol-4-yl]propan-2-ol

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)C2=CC=NC3=N/C(=C\4/C5=C(C=CC(=N5)C6=CC(=CN=C6)OC7CCCCC7)NN4)/N=C23

DOS

IR

Vibrations