Geometry & MOs

Info

ID:	242253
PubChem CID:	96099328
Reduced:	O3N4C16H22 (1)
Stoich.:	A3B4C16D22 (1)
Weight, g/mol:	349.119319
ΔH_f, kcal/mol:	-37.31
Dipole, Da:	5.64
IP(EA), eV:	-9.59(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2-chlorophenoxy)-1-[(2R)-2-(5-methyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]butan-1-one

Drug info:

PubChemData

Smile

CC1=C(C(=NO1)C)C[C@@H](C)C(=O)N2CCC[C@H]2C3=NOC(=N3)C

DOS

IR

Vibrations