Geometry & MOs

Info

ID:	127349
PubChem CID:	50999367
Reduced:	N2O3C12H18 (1)
Stoich.:	A2B3C12D18 (1)
Weight, g/mol:	283.045628
ΔH_f, kcal/mol:	-112.53
Dipole, Da:	2.71
IP(EA), eV:	-8.69(0.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-(trifluoromethoxy)phenyl]pyridine-4-carboxylic acid

Drug info:

PubChemData

Smile

CN[C@@H](CC1=CC(=C(C=C1)O)O)C(=O)N(C)C

DOS

IR

Vibrations