Geometry & MOs

Info

ID:	121708
PubChem CID:	50778441
Reduced:	O2N4C21H22 (1)
Stoich.:	A2B4C21D22 (1)
Weight, g/mol:	350.174276
ΔH_f, kcal/mol:	24.11
Dipole, Da:	4.55
IP(EA), eV:	-8.86(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-(5-ethyl-1,2,4-oxadiazol-3-yl)phenyl]-3-(2,4,6-trimethylphenyl)urea

Drug info:

PubChemData

Smile

C1CC(C1)C2=NC(=NO2)C3=CC=C(C=C3)NC(=O)NCCC4=CC=CC=C4

DOS

IR

Vibrations