Geometry & MOs

Info

ID:	372311
PubChem CID:	131296085
Reduced:	NOSC13H15 (1)
Stoich.:	ABCD13E15 (1)
Weight, g/mol:	220.101191
ΔH_f, kcal/mol:	-6.71
Dipole, Da:	3.15
IP(EA), eV:	-8.79(-0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-fluoro-3-hydroxy-2-piperidin-2-ylbenzonitrile

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1O)C)[C@@H](C2=CC=CS2)N

DOS

IR

Vibrations