Geometry & MOs

Info

ID:	206398
PubChem CID:	80245146
Reduced:	OSN2C13H20 (1)
Stoich.:	ABC2D13E20 (1)
Weight, g/mol:	314.9751
ΔH_f, kcal/mol:	-41.26
Dipole, Da:	4.22
IP(EA), eV:	-9.06(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(5-bromothiophen-2-yl)-N-[(4-methylthiophen-3-yl)methyl]ethanamine

Drug info:

PubChemData

Smile

CCC1=C(SC=C1)CNC(=O)CC2CCCN2

DOS

IR

Vibrations