Geometry & MOs

Info

ID:	337311
PubChem CID:	127256993
Reduced:	O2F3N3C12H14 (1)
Stoich.:	A2B3C3D12E14 (1)
Weight, g/mol:	193.073893
ΔH_f, kcal/mol:	-170.96
Dipole, Da:	3.71
IP(EA), eV:	-9.72(-1.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-methyl-1-oxopropan-2-yl) pyridine-3-carboxylate

Drug info:

PubChemData

Smile

CO/N=C/CCCNC(=O)C1=C(C=CN=C1)C(F)(F)F

DOS

IR

Vibrations