Geometry & MOs

Info

ID:	226813
PubChem CID:	87558462
Reduced:	NS2F6O6H13C16 (1)
Stoich.:	AB2C6D6E13F16 (1)
Weight, g/mol:	162.042927
ΔH_f, kcal/mol:	-488.23
Dipole, Da:	3.76
IP(EA), eV:	-10.12(-1.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-ethynyl-2-methylpyrimidine-4-carboxylic acid

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C(NC(C2=CC=CC=C2)OS(=O)(=O)C(F)(F)F)OS(=O)(=O)C(F)(F)F

DOS

IR

Vibrations