Geometry & MOs

Info

ID:	21303
PubChem CID:	587884
Reduced:	ClON2C10H11 (1)
Stoich.:	ABC2D10E11 (1)
Weight, g/mol:	210.055991
ΔH_f, kcal/mol:	-29.31
Dipole, Da:	6.61
IP(EA), eV:	-8.69(-0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-chlorophenyl)-1,3-diazinan-2-one

Drug info:

PubChemData

Smile

C1CNC(=O)N(C1)C2=CC=C(C=C2)Cl

DOS

IR

Vibrations