Geometry & MOs

Info

ID:	285026
PubChem CID:	104091273
Reduced:	ON3C8H11 (1)
Stoich.:	AB3C8D11 (1)
Weight, g/mol:	299.03433
ΔH_f, kcal/mol:	40.46
Dipole, Da:	2.34
IP(EA), eV:	-10.48(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-bromothiophen-2-yl)-N-propylhex-5-yn-1-amine

Drug info:

PubChemData

Smile

C#CCCCC(C1=NNN=C1)O

DOS

IR

Vibrations