Geometry & MOs

Info

ID:	289742
PubChem CID:	104372227
Reduced:	ClO2N5C11H14 (1)
Stoich.:	AB2C5D11E14 (1)
Weight, g/mol:	318.03829
ΔH_f, kcal/mol:	-46.06
Dipole, Da:	6.18
IP(EA), eV:	-10.03(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-chloro-5-methyl-3-[[2-(trifluoromethyl)phenyl]methyl]-1H-pyrimidine-2,4-dione

Drug info:

PubChemData

Smile

CC(C)C1=C(NC(=O)N(C1=O)CC2=NN=CN2C)Cl

DOS

IR

Vibrations