Geometry & MOs

Info

ID:	208008
PubChem CID:	80480418
Reduced:	BrOSN2C12H19 (1)
Stoich.:	ABCD2E12F19 (1)
Weight, g/mol:	288.02958
ΔH_f, kcal/mol:	-22.77
Dipole, Da:	3.81
IP(EA), eV:	-8.97(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3-bromothiophen-2-yl)methyl]-1-piperidin-3-ylmethanamine

Drug info:

PubChemData

Smile

C1CNCCC1OCCNCC2=C(C=CS2)Br

DOS

IR

Vibrations