Geometry & MOs

Info

ID:	130973
PubChem CID:	51137272
Reduced:	N3O3C16H17 (1)
Stoich.:	A3B3C16D17 (1)
Weight, g/mol:	337.15904
ΔH_f, kcal/mol:	-9.99
Dipole, Da:	4.28
IP(EA), eV:	-8.98(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-benzyl-5-[(3S)-1-[(2-fluorophenyl)methyl]pyrrolidin-3-yl]-1,3,4-oxadiazole

Drug info:

PubChemData

Smile

CC1=CC=C(O1)CN2CC[C@@H](C2)C3=NN=C(O3)C4=CC=CO4

DOS

IR

Vibrations