Geometry & MOs

Info

ID:	189763
PubChem CID:	77901974
Reduced:	SO2N3C20H21 (1)
Stoich.:	AB2C3D20E21 (1)
Weight, g/mol:	344.153621
ΔH_f, kcal/mol:	1.43
Dipole, Da:	3.42
IP(EA), eV:	-8.88(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-amino-3-hydroxypiperidin-1-yl)-[3-[(3-fluorophenyl)methoxy]phenyl]methanone

Drug info:

PubChemData

Smile

C1CC2CN(CC1C(=O)N2CC3=CSC=N3)CC4=CC5=CC=CC=C5O4

DOS

IR

Vibrations