Geometry & MOs

Info

ID:

297396

PubChem CID:

117616813

Reduced:

F3N3O4H22C25 (1)

Stoich.:

A3B3C4D22E25 (1)

Weight, g/mol:

537.173622

ΔHf, kcal/mol:

-246.53

Dipole, Da:

5.7

IP(EA), eV:

 -9.58(-1.09)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[4-[2-(2-methylpyrazol-3-yl)-4-(trifluoromethyl)phenoxy]phenyl]-6-[[(3S)-2-oxopyrrolidin-3-yl]amino]pyrimidine-4-carboxamide

Drug info:

PubChemData

Smile

C1CCN(C1)C(=O)C(C2=C(C=CC(=C2)C(F)(F)F)OC3=CC=C(C=C3)C4=NC(=CC=C4)C(=O)N)O

DOS

IR

Vibrations