Geometry & MOs

Info

ID:	122122
PubChem CID:	50795402
Reduced:	N3C7H11 (2)
Stoich.:	A3B7C11 (2)
Weight, g/mol:	445.18017
ΔH_f, kcal/mol:	52.41
Dipole, Da:	3.5
IP(EA), eV:	-8.24(0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(4-fluorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-2-(2-propan-2-ylphenoxy)acetamide

Drug info:

PubChemData

Smile

CCCCNC1=NC2=C(C=NN2C)C(=N1)N3CCCC3

DOS

IR

Vibrations