Geometry & MOs

Info

ID:	414728
PubChem CID:	135087689
Reduced:	ON3C10H12 (2)
Stoich.:	AB3C10D12 (2)
Weight, g/mol:	323.138225
ΔH_f, kcal/mol:	4.89
Dipole, Da:	4.65
IP(EA), eV:	-8.16(0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S,4R)-1-(5-phenyl-1,2,4-oxadiazol-3-yl)-4-(pyrazin-2-ylmethyl)pyrrolidin-3-ol

Drug info:

PubChemData

Smile

CN1C2=NC(=NC(=C2C=N1)N)N3CCC4(CC3)C5=C(CCO4)C=CC=C5OC

DOS

IR

Vibrations