Geometry & MOs

Info

ID:	67780
PubChem CID:	46507153
Reduced:	ClON3C20H20 (1)
Stoich.:	ABC3D20E20 (1)
Weight, g/mol:	352.133554
ΔH_f, kcal/mol:	54.33
Dipole, Da:	5.31
IP(EA), eV:	-8.97(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-(3,5-dimethylphenyl)-3-oxopyrazin-2-yl]-3-(4-fluorophenyl)urea

Drug info:

PubChemData

Smile

C1CCN(CC1)CC2=CC=C(C=C2)C3=NC(=NO3)C4=CC=C(C=C4)Cl

DOS

IR

Vibrations