Geometry & MOs

Info

ID:	158312
PubChem CID:	56463338
Reduced:	O4N5C23H35 (1)
Stoich.:	A4B5C23D35 (1)
Weight, g/mol:	421.175004
ΔH_f, kcal/mol:	-136.94
Dipole, Da:	7.7
IP(EA), eV:	-10.15(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-anilino-N-[1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2-methylpropyl]-3-nitrobenzamide

Drug info:

PubChemData

Smile

CC(C)C(C1=NC(=NO1)C2CC2)NC(=O)CN3C(=O)C4(CCC(CC4)C(C)(C)C)NC3=O

DOS

IR

Vibrations