Geometry & MOs

Info

ID:	253240
PubChem CID:	103116989
Reduced:	F3O3N4H9C11 (1)
Stoich.:	A3B3C4D9E11 (1)
Weight, g/mol:	239.126991
ΔH_f, kcal/mol:	-208.33
Dipole, Da:	3.77
IP(EA), eV:	-9.85(-1.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[tert-butyl-(1-methylpyrazole-3-carbonyl)amino]acetic acid

Drug info:

PubChemData

Smile

C1=CN2C(=C(C=N2)C(=O)N(CC(=O)O)CC(F)(F)F)C=N1

DOS

IR

Vibrations