Geometry & MOs

Info

ID:	415626
PubChem CID:	135088625
Reduced:	N3O3C18H23 (1)
Stoich.:	A3B3C18D23 (1)
Weight, g/mol:	340.153541
ΔH_f, kcal/mol:	-80.27
Dipole, Da:	3.87
IP(EA), eV:	-9.1(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(3R,4R)-3-methoxy-4-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-1-yl]-5-phenyl-1,2,4-oxadiazole

Drug info:

PubChemData

Smile

CO[C@@H]1C[C@@H](CC[C@@H]1O)C(=O)NCC2=CC(=CC=C2)N3C=CC=N3

DOS

IR

Vibrations