Geometry & MOs

Info

ID:

376866

PubChem CID:

134222895

Reduced:

O2N5C16H21 (1)

Stoich.:

A2B5C16D21 (1)

Weight, g/mol:

585.224829

ΔHf, kcal/mol:

-38.53

Dipole, Da:

3.62

IP(EA), eV:

 -8.62(-0.31)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[4-fluoro-2-[[3-(3-hydroxy-5-methyl-1,3-dihydropyrazol-2-yl)phenyl]carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]-5-pyridazin-4-ylindazole-3-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=NN1)NC2=NC(=CC(=N2)[C@@H]3CC[C@@](C3)(C)C(=O)O)C

DOS

IR

Vibrations