Geometry & MOs

Info

ID:	144462
PubChem CID:	53372718
Reduced:	ClFN6H12C18 (1)
Stoich.:	ABC6D12E18 (1)
Weight, g/mol:	498.201553
ΔH_f, kcal/mol:	76.24
Dipole, Da:	4.83
IP(EA), eV:	-9.29(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5Z)-5-[[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]pyrimidin-4-yl]methylidene]-1-benzylimidazolidine-2,4-dione

Drug info:

PubChemData

Smile

C1=CC2=C(N=C1)N=C(C=C2NC3=NC(=NC=C3)N)C4=C(C=CC(=C4)Cl)F

DOS

IR

Vibrations