Geometry & MOs

Info

ID:	204636
PubChem CID:	79990548
Reduced:	BrNS2C12H14 (1)
Stoich.:	ABC2D12E14 (1)
Weight, g/mol:	328.99075
ΔH_f, kcal/mol:	49.31
Dipole, Da:	2.33
IP(EA), eV:	-8.92(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(5-bromo-4-methylthiophen-2-yl)-N-ethyl-2-thiophen-2-ylethanamine

Drug info:

PubChemData

Smile

CC1=C(SC(=C1)C(CC2=CC=CS2)NC)Br

DOS

IR

Vibrations