Geometry & MOs

Info

ID:	142466
PubChem CID:	53039460
Reduced:	ClN4O4C21H21 (1)
Stoich.:	AB4C4D21E21 (1)
Weight, g/mol:	370.200491
ΔH_f, kcal/mol:	-54.73
Dipole, Da:	8.54
IP(EA), eV:	-8.55(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-cyclohexyl-2-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboxamide

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C2=NOC(=N2)C3CCCN3C(=O)NC4=CC(=C(C=C4)OC)Cl

DOS

IR

Vibrations