Geometry & MOs

Info

ID:	29078
PubChem CID:	831453
Reduced:	FNO3C15H16 (1)
Stoich.:	ABC3D15E16 (1)
Weight, g/mol:	320.137222
ΔH_f, kcal/mol:	-155.99
Dipole, Da:	6.34
IP(EA), eV:	-9.49(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (4R)-4-(4-ethoxy-3-methoxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate

Drug info:

PubChemData

Smile

C1C[C@@H]2C[C@H]1[C@H]([C@@H]2C(=O)O)C(=O)NC3=CC=CC=C3F

DOS

IR

Vibrations