Geometry & MOs

Info

ID:	208373
PubChem CID:	80526672
Reduced:	SN3C13H17 (1)
Stoich.:	AB3C13D17 (1)
Weight, g/mol:	353.0449
ΔH_f, kcal/mol:	60.57
Dipole, Da:	1.4
IP(EA), eV:	-9.11(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(4-bromophenoxy)ethyl]-2-methyl-2-thiophen-2-ylpropan-1-amine

Drug info:

PubChemData

Smile

CC(C)(CNCC1=NC=CN=C1)C2=CC=CS2

DOS

IR

Vibrations