Geometry & MOs

Info

ID:	139300
PubChem CID:	52506795
Reduced:	ClON4C18H27 (1)
Stoich.:	ABC4D18E27 (1)
Weight, g/mol:	355.13322
ΔH_f, kcal/mol:	-37.04
Dipole, Da:	4.87
IP(EA), eV:	-8.72(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1R)-1-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-3-(2-hydroxyphenyl)propanamide

Drug info:

PubChemData

Smile

CCC[C@H]1CCCN(CC1)C(=O)C2=NC(=NC=C2Cl)N3CCCC3

DOS

IR

Vibrations