Geometry & MOs

Info

ID:	121071
PubChem CID:	50754948
Reduced:	O2N3C16H19 (1)
Stoich.:	A2B3C16D19 (1)
Weight, g/mol:	279.077454
ΔH_f, kcal/mol:	-13.84
Dipole, Da:	6.18
IP(EA), eV:	-9.63(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CCC(C1)C2=NC(=NO2)CNC(=O)CC3=CC=CC=C3

DOS

IR

Vibrations