Geometry & MOs

Info

ID:	374260
PubChem CID:	131325920
Reduced:	BrNOC13H16 (1)
Stoich.:	ABCD13E16 (1)
Weight, g/mol:	255.986254
ΔH_f, kcal/mol:	-6.66
Dipole, Da:	3.1
IP(EA), eV:	-8.99(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-amino-6-chloro-2-(trifluoromethoxy)pyridine-3-carboxylic acid

Drug info:

PubChemData

Smile

COC1=C(C=C2CCCC2=C1Br)[C@@H](C=C)N

DOS

IR

Vibrations