Geometry & MOs

Info

ID:	158648
PubChem CID:	56464416
Reduced:	O4N5C20H29 (1)
Stoich.:	A4B5C20D29 (1)
Weight, g/mol:	456.120047
ΔH_f, kcal/mol:	-123.04
Dipole, Da:	7.96
IP(EA), eV:	-10.14(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1CCCCC12C(=O)N(C(=O)N2)CC(=O)NC(C3=NC(=NO3)C4CC4)C(C)C

DOS

IR

Vibrations