Geometry & MOs

Info

ID:	342360
PubChem CID:	127265183
Reduced:	NO3C17H19 (1)
Stoich.:	AB3C17D19 (1)
Weight, g/mol:	326.13789
ΔH_f, kcal/mol:	-98.59
Dipole, Da:	7.14
IP(EA), eV:	-9.47(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[[5-(2-butan-2-yloxypyridin-4-yl)-1,2,4-oxadiazol-3-yl]methyl]pyridin-2-one

Drug info:

PubChemData

Smile

C1CC2CN(CC2C1)C(=O)C=CC3=CC=C(C=C3)C(=O)O

DOS

IR

Vibrations