Geometry & MOs

Info

ID:	208596
PubChem CID:	80550433
Reduced:	FSCl2N3H6C9 (1)
Stoich.:	ABC2D3E6F9 (1)
Weight, g/mol:	300.08373
ΔH_f, kcal/mol:	13.79
Dipole, Da:	0.85
IP(EA), eV:	-9.29(-1.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[1-[(5-bromofuran-2-yl)methyl]piperidin-4-yl]methyl]ethanamine

Drug info:

PubChemData

Smile

CC1=CSC(=N1)CC2=NC(=C(C(=N2)Cl)F)Cl

DOS

IR

Vibrations