Geometry & MOs

Info

ID:	23309
PubChem CID:	603045
Reduced:	F2N2O3C14H14 (1)
Stoich.:	A2B2C3D14E14 (1)
Weight, g/mol:	296.097249
ΔH_f, kcal/mol:	-193.7
Dipole, Da:	5.45
IP(EA), eV:	-9.49(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 6-(3,4-difluorophenyl)-3,4-dimethyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate

Drug info:

PubChemData

Smile

CC1=C(C(NC(=O)N1C)C2=CC(=C(C=C2)F)F)C(=O)OC

DOS

IR

Vibrations