Geometry & MOs

Info

ID:	279020
PubChem CID:	103840558
Reduced:	NO5H21C26 (1)
Stoich.:	AB5C21D26 (1)
Weight, g/mol:	227.11217
ΔH_f, kcal/mol:	-118.29
Dipole, Da:	5.16
IP(EA), eV:	-8.87(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2,3-difluoro-4-methylphenyl)piperidin-3-ol

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C(C3=CC=CC=C32)COC(=O)N[C@H](CC(=O)O)C4=COC5=CC=CC=C54

DOS

IR

Vibrations