Geometry & MOs

Info

ID:	121067
PubChem CID:	50754602
Reduced:	OSN4C20H20 (1)
Stoich.:	ABC4D20E20 (1)
Weight, g/mol:	357.088019
ΔH_f, kcal/mol:	78.6
Dipole, Da:	2.74
IP(EA), eV:	-8.35(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(5-benzyl-1,2,4-oxadiazol-3-yl)methyl]-4-chloro-2-methoxybenzamide

Drug info:

PubChemData

Smile

CCCC1=NC(=NO1)C2=C(N=C3C=C(C=CC3=C2)C)NCC4=CC=CS4

DOS

IR

Vibrations