Geometry & MOs

Info

ID:	57781
PubChem CID:	24277293
Reduced:	FN3O3C16H20 (1)
Stoich.:	AB3C3D16E20 (1)
Weight, g/mol:	297.991197
ΔH_f, kcal/mol:	-163.46
Dipole, Da:	2.62
IP(EA), eV:	-9.46(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(3,4-dichlorophenyl)-6-methyl-2-oxo-1H-pyrimidine-5-carboxylic acid

Drug info:

PubChemData

Smile

CCN(CC)CC1=C(C(NC(=O)N1)C2=CC=C(C=C2)F)C(=O)O

DOS

IR

Vibrations