Geometry & MOs

Info

ID:

429695

PubChem CID:

135169746

Reduced:

ClF3O4N8H20C24 (1)

Stoich.:

AB3C4D8E20F24 (1)

Weight, g/mol:

505.158641

ΔHf, kcal/mol:

-157.53

Dipole, Da:

6.86

IP(EA), eV:

 -8.2(-1.38)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-(5-amino-1-methylpyrazol-3-yl)-5-[[1-quinolin-5-yl-5-(trifluoromethyl)pyrazol-4-yl]oxymethylamino]pyridine-3-carbonitrile

Drug info:

PubChemData

Smile

COC1=NC=CC2=C1C=CC=C2N3C(=C(C=N3)C(=O)NC4=CC(=C(N=C4)N(/C(=C\N)/C(=O)OC)N)Cl)C(F)(F)F

DOS

IR

Vibrations