Geometry & MOs

Info

ID:

376226

PubChem CID:

134222236

Reduced:

FO4N8C31H31 (1)

Stoich.:

AB4C8D31E31 (1)

Weight, g/mol:

624.297265

ΔHf, kcal/mol:

-104.71

Dipole, Da:

9.49

IP(EA), eV:

 -8.81(-1.19)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[2-[[2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)pyridin-4-yl]carbamoyl]-4-fluorocyclopentyl]-2-oxoethyl]-5-pyridazin-4-ylindazole-3-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1)N2CC(CC2=O)NC(=O)C3CC(CN3C(=O)CN4C5=C(C=C(C=C5)C6=CN=NC=C6)C(=N4)C(=O)N)F)C

DOS

IR

Vibrations