Geometry & MOs

Info

ID:

449883

PubChem CID:

135302273

Reduced:

Cl2F3O4N5H18C21 (1)

Stoich.:

A2B3C4D5E18F21 (1)

Weight, g/mol:

464.141988

ΔHf, kcal/mol:

-184.71

Dipole, Da:

3.6

IP(EA), eV:

 -9.59(-2.03)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[[(3S)-4-(1,2-dihydropyridine-4-carbonyl)morpholin-3-yl]methyl]-5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyridine-2-carboxamide

Drug info:

PubChemData

Smile

C=C(/C=C(\C=C\C(=O)N1CCOCC1CNC(=O)C2=NC=C(C=C2)C3=NOC(=N3)C(F)(F)F)/Cl)Cl

DOS

IR

Vibrations