Geometry & MOs

Info

ID:	142548
PubChem CID:	53054449
Reduced:	ClON6C16H17 (1)
Stoich.:	ABC6D16E17 (1)
Weight, g/mol:	340.133554
ΔH_f, kcal/mol:	98.02
Dipole, Da:	8.21
IP(EA), eV:	-9.0(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN(C)CCNC1=NN=C(C=C1)C2=NC(=NO2)C3=CC(=CC=C3)Cl

DOS

IR

Vibrations