Geometry & MOs

Info

ID:	264623
PubChem CID:	103476707
Reduced:	OSN2F3H9C13 (1)
Stoich.:	ABC2D3E9F13 (1)
Weight, g/mol:	293.135111
ΔH_f, kcal/mol:	-111.99
Dipole, Da:	6.09
IP(EA), eV:	-9.25(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[(tert-butylamino)methyl]-2-(2,2,2-trifluoroethoxymethyl)-1H-pyrimidin-4-one

Drug info:

PubChemData

Smile

C1=CC(=CC=C1C#N)C2=CSC(=N2)COCC(F)(F)F

DOS

IR

Vibrations