Geometry & MOs

Info

ID:	120771
PubChem CID:	50743950
Reduced:	OSF2N2H16C20 (1)
Stoich.:	ABC2D2E16F20 (1)
Weight, g/mol:	313.09819
ΔH_f, kcal/mol:	-44.94
Dipole, Da:	1.84
IP(EA), eV:	-9.09(-1.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-ethylaniline

Drug info:

PubChemData

Smile

C1CCC2(C1)N=C(C(=S)N2C(=O)C3=CC=C(C=C3)F)C4=CC=C(C=C4)F

DOS

IR

Vibrations