Geometry & MOs

Info

ID:	63085
PubChem CID:	26744217
Reduced:	N3O3C14H23 (1)
Stoich.:	A3B3C14D23 (1)
Weight, g/mol:	344.184841
ΔH_f, kcal/mol:	-89.16
Dipole, Da:	2.3
IP(EA), eV:	-9.35(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-[[(2S,4R)-4-hydroxy-2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methyl]phenyl]acetamide

Drug info:

PubChemData

Smile

CC(C)C1=NOC(=N1)[C@@H]2C[C@H](CN2C3CCOCC3)O

DOS

IR

Vibrations