Geometry & MOs

Info

ID:	372930
PubChem CID:	131307189
Reduced:	NSO4H7C10 (1)
Stoich.:	ABC4D7E10 (1)
Weight, g/mol:	282.94558
ΔH_f, kcal/mol:	-52.75
Dipole, Da:	7.79
IP(EA), eV:	-9.47(-2.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-bromo-6-(trifluoromethyl)pyridin-3-yl]acetic acid

Drug info:

PubChemData

Smile

CC1=CC(=C(C2=C1C=CS2)[N+](=O)[O-])C(=O)O

DOS

IR

Vibrations