Geometry & MOs

Info

ID:	242252
PubChem CID:	96099325
Reduced:	O3N5C13H15 (1)
Stoich.:	A3B5C13D15 (1)
Weight, g/mol:	318.169191
ΔH_f, kcal/mol:	-19.8
Dipole, Da:	5.06
IP(EA), eV:	-9.6(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-3-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methyl-1-[(2S)-2-(5-methyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]propan-1-one

Drug info:

PubChemData

Smile

CC1=NC(=NO1)[C@H]2CCCN2C(=O)C3=NN(C(=O)C=C3)C

DOS

IR

Vibrations