Geometry & MOs

Info

ID:

136492

PubChem CID:

52050180

Reduced:

FO4N6C27H31 (1)

Stoich.:

AB4C6D27E31 (1)

Weight, g/mol:

505.248918

ΔHf, kcal/mol:

-109.18

Dipole, Da:

2.3

IP(EA), eV:

 -9.14(-1.53)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(3R)-1-[2-fluoro-4-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]phenyl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]piperidine-3-carboxamide

Drug info:

PubChemData

Smile

CCOC(=O)N1CCC(CC1)NC(=O)[C@H]2CCCN(C2)C3=C(C=C(C=C3)C4=NOC(=N4)C5=CC=NC=C5)F

DOS

IR

Vibrations