Geometry & MOs

Info

ID:	326726
PubChem CID:	126688097
Reduced:	FSO4N5C18H20 (1)
Stoich.:	ABC4D5E18F20 (1)
Weight, g/mol:	307.178358
ΔH_f, kcal/mol:	-123.85
Dipole, Da:	7.32
IP(EA), eV:	-9.24(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-[4-[ethoxy(hydroxy)methyl]piperidin-1-yl]ethyl]-6-hydroxybenzaldehyde

Drug info:

PubChemData

Smile

C1[C@H](O[C@H]([C@H]1F)N2C=NC3=C(N=CN=C32)CCC4=CC=CC=C4)COS(=O)(=O)N

DOS

IR

Vibrations