Geometry & MOs

Info

ID:	130976
PubChem CID:	51137943
Reduced:	OF4N5H13C17 (1)
Stoich.:	AB4C5D13E17 (1)
Weight, g/mol:	273.15896
ΔH_f, kcal/mol:	-124.63
Dipole, Da:	4.53
IP(EA), eV:	-9.17(-1.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-tert-butyl-5-[(3S)-1-pyrimidin-2-ylpyrrolidin-3-yl]-1,3,4-oxadiazole

Drug info:

PubChemData

Smile

C1CN(C[C@H]1C2=NN=C(O2)C3=CC=CC=C3F)C4=NC=CC(=N4)C(F)(F)F

DOS

IR

Vibrations