Geometry & MOs

Info

ID:	28862
PubChem CID:	830115
Reduced:	NO2F3H12C13 (1)
Stoich.:	AB2C3D12E13 (1)
Weight, g/mol:	346.189257
ΔH_f, kcal/mol:	-189.12
Dipole, Da:	2.25
IP(EA), eV:	-8.85(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methylbutyl (4S)-4-(2-ethoxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)/C=C/C(=O)/C=C(/C(F)(F)F)\N

DOS

IR

Vibrations