Geometry & MOs

Info

ID:	53172
PubChem CID:	14709697
Reduced:	ClO2N4H11C15 (1)
Stoich.:	AB2C4D11E15 (1)
Weight, g/mol:	325.081104
ΔH_f, kcal/mol:	30.48
Dipole, Da:	7.51
IP(EA), eV:	-9.26(-1.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-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)Cl

DOS

IR

Vibrations