Geometry & MOs

Info

ID:	272157
PubChem CID:	103729483
Reduced:	BrSN2C12H19 (1)
Stoich.:	ABC2D12E19 (1)
Weight, g/mol:	339.02925
ΔH_f, kcal/mol:	20.49
Dipole, Da:	1.15
IP(EA), eV:	-8.75(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(5-bromothiophen-2-yl)ethyl]-1-(3-methoxyphenyl)ethanamine

Drug info:

PubChemData

Smile

CN1CCC(CC1)NCCC2=CC=C(S2)Br

DOS

IR

Vibrations