Geometry & MOs

Info

ID:	289722
PubChem CID:	104369864
Reduced:	ClFNOH4C6 (2)
Stoich.:	ABCDE4F6 (2)
Weight, g/mol:	258.031981
ΔH_f, kcal/mol:	-167.78
Dipole, Da:	4.46
IP(EA), eV:	-9.53(-1.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-chloro-5-fluoro-3-[(1-methylpyrazol-3-yl)methyl]-1H-pyrimidine-2,4-dione

Drug info:

PubChemData

Smile

C1=CC(=CC=C1C2=C(NC(=O)N(C2=O)CC(F)F)Cl)Cl

DOS

IR

Vibrations