Geometry & MOs

Info

ID:	121378
PubChem CID:	50765584
Reduced:	ClON4H19C24 (1)
Stoich.:	ABC4D19E24 (1)
Weight, g/mol:	420.140925
ΔH_f, kcal/mol:	53.02
Dipole, Da:	2.6
IP(EA), eV:	-8.9(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[5-[(2,4-difluorophenoxy)methyl]-1,2,4-oxadiazol-3-yl]ethyl]-3-(3-fluoro-4-methylphenyl)-1-methylurea

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)NC(=N2)CCC3=CC=C(C=C3)NC(=O)C4=CC5=C(N4)C=CC(=C5)Cl

DOS

IR

Vibrations