Geometry & MOs

Info

ID:	155318
PubChem CID:	56352905
Reduced:	ClO3N4C21H21 (1)
Stoich.:	AB3C4D21E21 (1)
Weight, g/mol:	402.073097
ΔH_f, kcal/mol:	-35.63
Dipole, Da:	3.56
IP(EA), eV:	-9.77(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=NOC(=N1)CCNC(=O)C(CC2=CC=CC=C2)NC(=O)C3=CC=C(C=C3)Cl

DOS

IR

Vibrations