Geometry & MOs

Info

ID:	242248
PubChem CID:	96099262
Reduced:	O3N5C17H19 (1)
Stoich.:	A3B5C17D19 (1)
Weight, g/mol:	330.994903
ΔH_f, kcal/mol:	-34.89
Dipole, Da:	3.01
IP(EA), eV:	-8.65(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2,5-dichlorothiophen-3-yl)-[(2S)-2-(5-methyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]methanone

Drug info:

PubChemData

Smile

CC1=NC(=NO1)[C@@H]2CCCN2C(=O)CN3C4=CC=CC=C4N(C3=O)C

DOS

IR

Vibrations