Geometry & MOs

Info

ID:

435440

PubChem CID:

135191470

Reduced:

F3O4N6C21H21 (1)

Stoich.:

A3B4C6D21E21 (1)

Weight, g/mol:

481.168537

ΔHf, kcal/mol:

-232.85

Dipole, Da:

5.08

IP(EA), eV:

 -9.74(-1.32)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-[[(2-methyl-1,5-dihydropyrazole-3-carbonyl)amino]methyl]-N-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]morpholine-4-carboxamide

Drug info:

PubChemData

Smile

C1COCC(N1C(=O)NC2=NC=C(C=C2)C(=NC(=O)C(F)(F)F)N)CNC(=O)C3=CC=CC=C3

DOS

IR

Vibrations