Geometry & MOs

Info

ID:

148205

PubChem CID:

53787867

Reduced:

FO3N5C40H42 (1)

Stoich.:

AB3C5D40E42 (1)

Weight, g/mol:

392.140389

ΔHf, kcal/mol:

-74.31

Dipole, Da:

1.95

IP(EA), eV:

 -8.98(-0.56)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-(6-chloropyridazin-3-yl)-5,5-dimethyl-3-[(1R,2R)-2-phenylcyclopropyl]-6,7-dihydroindazol-4-one

Drug info:

PubChemData

Smile

CC(C1=CC(=CC=C1)C(=O)N(C)[C@H](CC2=CC3=CC=CC=C3C=C2)C(=O)N(C)[C@H](CC4=CC=C(C=C4)F)C(=O)NCCC5=CC=NC=C5)N

DOS

IR

Vibrations