Geometry & MOs

Info

ID:	150477
PubChem CID:	53790167
Reduced:	O2N7C27H27 (1)
Stoich.:	A2B7C27D27 (1)
Weight, g/mol:	246.100442
ΔH_f, kcal/mol:	82.97
Dipole, Da:	4.54
IP(EA), eV:	-8.13(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-(5-ethyl-1,3,4-oxadiazol-2-yl)benzoate

Drug info:

PubChemData

Smile

CCCC1=CN(C(=O)N1CC2=CC=C(C=C2)C3=C(C=CN=C3)C4=NNN=N4)C5=C(C=CC=C5OC)C

DOS

IR

Vibrations