Geometry & MOs

Info

ID:	73829
PubChem CID:	48420594
Reduced:	O3N4H20C23 (1)
Stoich.:	A3B4C20D23 (1)
Weight, g/mol:	399.158292
ΔH_f, kcal/mol:	0.74
Dipole, Da:	2.31
IP(EA), eV:	-9.01(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1C(N(N=C1C(=O)OC(C2=CC=CC=C2)C3=CC=NC=C3)C4=CC=CC=C4)C(=O)N

DOS

IR

Vibrations