Geometry & MOs

Info

ID:	423535
PubChem CID:	135119691
Reduced:	OSN3C19H21 (1)
Stoich.:	ABC3D19E21 (1)
Weight, g/mol:	356.196074
ΔH_f, kcal/mol:	26.1
Dipole, Da:	3.78
IP(EA), eV:	-8.99(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[6-[2-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)ethylamino]pyrazin-2-yl]-pyrrolidin-1-ylmethanone

Drug info:

PubChemData

Smile

CC1=C(SC=N1)CN2C[C@H]([C@@H](C2)O)CC3=NC4=CC=CC=C4C=C3

DOS

IR

Vibrations