Geometry & MOs

Info

ID:	13685
PubChem CID:	396879
Reduced:	ClO2N3C14H14 (1)
Stoich.:	AB2C3D14E14 (1)
Weight, g/mol:	291.077454
ΔH_f, kcal/mol:	-60.68
Dipole, Da:	9.81
IP(EA), eV:	-9.05(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-chlorophenyl)-6-pyrrolidin-1-yl-1H-pyrimidine-2,4-dione

Drug info:

PubChemData

Smile

C1CCN(C1)C2=CC(=O)N(C(=O)N2)C3=CC=C(C=C3)Cl

DOS

IR

Vibrations