Geometry & MOs

Info

ID:	202622
PubChem CID:	79700711
Reduced:	BFN3O3C13H15 (1)
Stoich.:	ABC3D3E13F15 (1)
Weight, g/mol:	236.225249
ΔH_f, kcal/mol:	-191.99
Dipole, Da:	6.21
IP(EA), eV:	-9.21(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-bicyclo[2.2.1]heptanyl)-N-(piperidin-4-ylmethyl)ethanamine

Drug info:

PubChemData

Smile

B(C1=CC(=CC(=C1)F)CN2C(=O)N3CCCCC3=N2)(O)O

DOS

IR

Vibrations