Geometry & MOs

Info

ID:

449336

PubChem CID:

135297755

Reduced:

OF2N5C32H37 (1)

Stoich.:

AB2C5D32E37 (1)

Weight, g/mol:

503.224515

ΔHf, kcal/mol:

-46.46

Dipole, Da:

3.73

IP(EA), eV:

 -9.73(-1.06)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[4-[6-[(7S)-3-(2,6-difluorophenyl)-5-ethyl-6,6,7-trimethyl-5H-cyclopenta[c]pyridazin-7-yl]pyrazin-2-yl]pyrazol-1-yl]acetamide

Drug info:

PubChemData

Smile

CCC(C)C1=CC(=NN=C1[C@](C)(C2=NC(=NC=C2)C3=CC(=NC=C3)C(C)(C)O)C(C)(C)C)C4=C(C=CC=C4F)F

DOS

IR

Vibrations