Geometry & MOs

Info

ID:	73843
PubChem CID:	48420672
Reduced:	N2O2H16C21 (1)
Stoich.:	A2B2C16D21 (1)
Weight, g/mol:	386.13789
ΔH_f, kcal/mol:	28.59
Dipole, Da:	2.39
IP(EA), eV:	-9.79(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[phenyl(pyridin-4-yl)methyl] 3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propanoate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C(C2=CC=NC=C2)OC(=O)C3=CC=CC(=C3)CC#N

DOS

IR

Vibrations