Geometry & MOs

Info

ID:	275787
PubChem CID:	103817769
Reduced:	BrNO2F3H9C12 (1)
Stoich.:	ABC2D3E9F12 (1)
Weight, g/mol:	334.06808
ΔH_f, kcal/mol:	-183.45
Dipole, Da:	4.72
IP(EA), eV:	-8.82(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3-bromofuran-2-yl)methyl]-4-piperidin-1-ylaniline

Drug info:

PubChemData

Smile

C1=CC(=CC=C1NCC2=C(C=CO2)Br)OC(F)(F)F

DOS

IR

Vibrations