Geometry & MOs

Info

ID:	375206
PubChem CID:	131472853
Reduced:	BrON2C12H15 (1)
Stoich.:	ABC2D12E15 (1)
Weight, g/mol:	221.029978
ΔH_f, kcal/mol:	-45.82
Dipole, Da:	2.47
IP(EA), eV:	-8.88(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[5-hydroxy-2-(trifluoromethyl)pyridin-3-yl]acetic acid

Drug info:

PubChemData

Smile

CC(=O)NC1=C(C=C2[C@@H](CCCC2=C1)N)Br

DOS

IR

Vibrations