Geometry & MOs

Info

ID:	157779
PubChem CID:	56437151
Reduced:	F3N4O4C23H25 (1)
Stoich.:	A3B4C4D23E25 (1)
Weight, g/mol:	414.05527
ΔH_f, kcal/mol:	-282.3
Dipole, Da:	6.86
IP(EA), eV:	-9.16(-1.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-iodophenyl)-3-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propyl]urea

Drug info:

PubChemData

Smile

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)COC(=O)/C=C(/C3=CC=CC=C3)\C(F)(F)F)CCC

DOS

IR

Vibrations