Geometry & MOs

Info

ID:	211697
PubChem CID:	81049833
Reduced:	NSC15H21 (1)
Stoich.:	ABC15D21 (1)
Weight, g/mol:	283.00303
ΔH_f, kcal/mol:	5.28
Dipole, Da:	3.27
IP(EA), eV:	-8.27(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(5-bromo-3-methyl-1-benzothiophen-2-yl)methyl]ethanamine

Drug info:

PubChemData

Smile

CCNCC1=C(C2=C(S1)C=CC(=C2)C(C)C)C

DOS

IR

Vibrations