Geometry & MOs

Info

ID:	208007
PubChem CID:	80480417
Reduced:	BrSN2C10H17 (1)
Stoich.:	ABC2D10E17 (1)
Weight, g/mol:	318.04015
ΔH_f, kcal/mol:	21.03
Dipole, Da:	3.49
IP(EA), eV:	-9.06(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3-bromothiophen-2-yl)methyl]-2-piperidin-4-yloxyethanamine

Drug info:

PubChemData

Smile

CNCCCCNCC1=C(C=CS1)Br

DOS

IR

Vibrations