Geometry & MOs

Info

ID:	375217
PubChem CID:	131480922
Reduced:	N2O2F3H7C8 (1)
Stoich.:	A2B2C3D7E8 (1)
Weight, g/mol:	209.105193
ΔH_f, kcal/mol:	-130.49
Dipole, Da:	5.5
IP(EA), eV:	-10.51(-1.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(2S)-piperidin-2-yl]benzene-1,3,5-triol

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1[C@@H](C(F)F)N)[N+](=O)[O-])F

DOS

IR

Vibrations