Geometry & MOs

Info

ID:	32105
PubChem CID:	4266071
Reduced:	ClN3O5H18C25 (1)
Stoich.:	AB3C5D18E25 (1)
Weight, g/mol:	399.19582
ΔH_f, kcal/mol:	-105.41
Dipole, Da:	2.08
IP(EA), eV:	-9.63(-1.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-cyclohexyl-5-[(2-fluoro-4-piperidin-1-ylphenyl)methylidene]-1,3-diazinane-2,4,6-trione

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)N2C(=O)C(=CC3=CC(=C(C=C3)OCC(=O)N)Cl)C(=O)N(C2=O)C4=CC=CC=C4

DOS

IR

Vibrations