Geometry & MOs

Info

ID:	128930
PubChem CID:	51063712
Reduced:	ClNO2F3H7C13 (1)
Stoich.:	ABC2D3E7F13 (1)
Weight, g/mol:	208.084792
ΔH_f, kcal/mol:	-169.05
Dipole, Da:	1.35
IP(EA), eV:	-9.85(-1.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[2-(aziridin-1-yl)ethoxy]pyridine-2-carboxylic acid

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)OC2=C(C=C(C=N2)C(F)(F)F)Cl)C=O

DOS

IR

Vibrations