Geometry & MOs

Info

ID:	297802
PubChem CID:	117632008
Reduced:	FSO3N5C31H38 (1)
Stoich.:	ABC3D5E31F38 (1)
Weight, g/mol:	304.142307
ΔH_f, kcal/mol:	-99.21
Dipole, Da:	9.21
IP(EA), eV:	-9.21(-1.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[3-(2-cyano-2-hydroxyethyl)phenoxy]methyl]piperidine-1-carboxylic acid

Drug info:

PubChemData

Smile

CC1=NC2=CC(=NN2C(=C1C(C(=O)O)OC(C)(C)C)N3CCC(CC3)(C)C)C4=NC=C(S4)C(C)C5=CC=C(C=C5)F

DOS

IR

Vibrations