Geometry & MOs

Info

ID:	190827
PubChem CID:	78065703
Reduced:	Cl2O2N3H9C10 (1)
Stoich.:	A2B2C3D9E10 (1)
Weight, g/mol:	195.08079
ΔH_f, kcal/mol:	-57.55
Dipole, Da:	4.43
IP(EA), eV:	-9.68(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(4-fluorophenyl)-1,3,5-triazinan-2-one

Drug info:

PubChemData

Smile

C1C(=O)NC(=O)N(N1)CC2=CC(=CC(=C2)Cl)Cl

DOS

IR

Vibrations