Geometry & MOs

Info

ID:	289714
PubChem CID:	104369323
Reduced:	ClN2O2C13H21 (1)
Stoich.:	AB2C2D13E21 (1)
Weight, g/mol:	282.020748
ΔH_f, kcal/mol:	-128.48
Dipole, Da:	1.83
IP(EA), eV:	-9.82(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-chloro-3-(2,3-dihydro-1-benzofuran-3-yl)-5-fluoro-1H-pyrimidine-2,4-dione

Drug info:

PubChemData

Smile

CCC1=C(NC(=O)N(C1=O)C(C)CC(C)CC)Cl

DOS

IR

Vibrations