Geometry & MOs

Info

ID:

435196

PubChem CID:

135183935

Reduced:

ON4H52C72 (1)

Stoich.:

AB4C52D72 (1)

Weight, g/mol:

503.178039

ΔHf, kcal/mol:

364.5

Dipole, Da:

2.09

IP(EA), eV:

 -8.01(-0.72)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[[(2-methoxybenzoyl)amino]methyl]-N-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]piperidine-1-carboxamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)N(C2=CC=CC=C2)C3=CC=C(C=C3)C4=CC=C(C=C4)N(C5=CC=CC=C5)C6=CC7=C(C=C6)OC8=C7C=C(C=C8)N(C9=CC=CC=C9)C1=CC=C(C=C1)C1=CC=C(C=C1)N(C1=CC=CC=C1)C1=CC=CC=C1

DOS

IR

Vibrations