Geometry & MOs

Info

ID:	61911
PubChem CID:	26715682
Reduced:	ClFN3O4H17C24 (1)
Stoich.:	ABC3D4E17F24 (1)
Weight, g/mol:	362.13789
ΔH_f, kcal/mol:	-81.07
Dipole, Da:	5.22
IP(EA), eV:	-8.89(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-methyl-1,3-benzoxazol-5-yl)-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)C(=O)NC2=CC=C(C=C2)OC(=O)CCC3=NC(=NO3)C4=CC=C(C=C4)F)Cl

DOS

IR

Vibrations