Geometry & MOs

Info

ID:	23248
PubChem CID:	602920
Reduced:	F2N2O3C14H14 (1)
Stoich.:	A2B2C3D14E14 (1)
Weight, g/mol:	296.097249
ΔH_f, kcal/mol:	-205.09
Dipole, Da:	2.28
IP(EA), eV:	-9.75(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 4-(3,4-difluorophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(NC(=O)NC1C2=CC(=C(C=C2)F)F)C

DOS

IR

Vibrations