Geometry & MOs

Info

ID:	171412
PubChem CID:	75375050
Reduced:	NF3O3C14H20 (1)
Stoich.:	AB3C3D14E20 (1)
Weight, g/mol:	326.13789
ΔH_f, kcal/mol:	-301.45
Dipole, Da:	5.73
IP(EA), eV:	-9.24(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-methylfuran-3-yl)methyl 1-(4,6-dimethylpyrimidin-2-yl)-3-methylpyrazole-4-carboxylate

Drug info:

PubChemData

Smile

C1CC(=COC1)C(=O)OCC2CCN(CC2)CC(F)(F)F

DOS

IR

Vibrations