Geometry & MOs

Info

ID:	177660
PubChem CID:	76209786
Reduced:	ClFN2O2H10C13 (1)
Stoich.:	ABC2D2E10F13 (1)
Weight, g/mol:	262.131742
ΔH_f, kcal/mol:	-33.23
Dipole, Da:	2.84
IP(EA), eV:	-9.04(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-oxo-2-(2-phenylpropan-2-yl)-1,3-diazinane-5-carboxylic acid

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)OC2=C(C=C(C=C2)C(=NO)N)Cl)F

DOS

IR

Vibrations