Geometry & MOs

Info

ID:	53173
PubChem CID:	14709698
Reduced:	O4N5H11C15 (1)
Stoich.:	A4B5C11D15 (1)
Weight, g/mol:	325.081104
ΔH_f, kcal/mol:	37.7
Dipole, Da:	10.79
IP(EA), eV:	-9.63(-1.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-nitrophenyl)-3-(5-phenyl-1,2,4-oxadiazol-3-yl)urea

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=NC(=NO2)NC(=O)NC3=CC(=CC=C3)[N+](=O)[O-]

DOS

IR

Vibrations