Geometry & MOs

Info

ID:	365173
PubChem CID:	127316977
Reduced:	O2N5C21H37 (1)
Stoich.:	A2B5C21D37 (1)
Weight, g/mol:	396.140925
ΔH_f, kcal/mol:	-87.83
Dipole, Da:	6.46
IP(EA), eV:	-8.61(0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-(5-methyl-1,2,4-oxadiazol-3-yl)morpholin-4-yl]-1-[4-(trifluoromethyl)phenyl]pyrrolidin-2-one

Drug info:

PubChemData

Smile

CC1CN(CC(O1)C)CC2CCCN2CC(=O)NC3=CC(=NN3C(C)(C)C)C

DOS

IR

Vibrations