Geometry & MOs

Info

ID:

297206

PubChem CID:

117612922

Reduced:

O2N3C13H15 (2)

Stoich.:

A2B3C13D15 (2)

Weight, g/mol:

448.202302

ΔHf, kcal/mol:

-59.13

Dipole, Da:

13.29

IP(EA), eV:

 -9.04(-1.46)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[(1R,2R)-1-[3-[(3,3-dimethyl-2-oxo-1H-indol-6-yl)amino]-4-oxo-2H-pyrazolo[4,3-c]pyridin-1-yl]-2-fluorocyclohexyl]acetonitrile

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)NC2=C3C(=CC=NC3=O)N(N2)[C@@]4(CCCOC4)CC#N)C(=O)N5CC[C@H](C5)OC

DOS

IR

Vibrations