Geometry & MOs

Info

ID:	248140
PubChem CID:	103079234
Reduced:	ON3F4H9C11 (1)
Stoich.:	AB3C4D9E11 (1)
Weight, g/mol:	214.070205
ΔH_f, kcal/mol:	-165.88
Dipole, Da:	8.11
IP(EA), eV:	-8.81(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[methyl-(1-methyl-4-nitropyrazol-3-yl)amino]acetic acid

Drug info:

PubChemData

Smile

CN1C=C(C(=N1)OC2=CC(=C(C=C2)F)C(F)(F)F)N

DOS

IR

Vibrations