Geometry & MOs

Info

ID:	421942
PubChem CID:	135116881
Reduced:	O2N4C23H28 (1)
Stoich.:	A2B4C23D28 (1)
Weight, g/mol:	287.072449
ΔH_f, kcal/mol:	-28.44
Dipole, Da:	1.29
IP(EA), eV:	-9.08(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-chloro-6-fluoro-3-methylphenyl)-[(3S,4S)-3,4-dihydroxypiperidin-1-yl]methanone

Drug info:

PubChemData

Smile

C1CC2(CCC3=CN=C(N=C32)C4=CC=CC=C4)CN(C1)CC(=O)N5CCOCC5

DOS

IR

Vibrations