Geometry & MOs

Info

ID:	427023
PubChem CID:	135155111
Reduced:	BrSF2N3O4C28H36 (1)
Stoich.:	ABC2D3E4F28G36 (1)
Weight, g/mol:	265.142641
ΔH_f, kcal/mol:	-236.91
Dipole, Da:	6.71
IP(EA), eV:	-9.29(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[5-(1-aminoethyl)pyridin-2-yl]oxypiperidine-1-carboxylic acid

Drug info:

PubChemData

Smile

CCCCCCOC1=CC=C(C=C1)S(=O)(=O)N[C@@H](C(=O)N2C3CCC2CC(C3)N)C(C4=CC=C(C=C4)Br)(F)F

DOS

IR

Vibrations