Geometry & MOs

Info

ID:	27033
PubChem CID:	813067
Reduced:	Cl2O2N3H13C14 (1)
Stoich.:	A2B2C3D13E14 (1)
Weight, g/mol:	325.038482
ΔH_f, kcal/mol:	-3.04
Dipole, Da:	6.14
IP(EA), eV:	-9.64(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,2-dichloro-1-[(2S)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]ethanone

Drug info:

PubChemData

Smile

C1C[C@@H](N(C1)C(=O)C(Cl)Cl)C2=NC(=NO2)C3=CC=CC=C3

DOS

IR

Vibrations