Geometry & MOs

Info

ID:	206709
PubChem CID:	80287631
Reduced:	ClOSBr2H11C13 (1)
Stoich.:	ABCD2E11F13 (1)
Weight, g/mol:	288.142698
ΔH_f, kcal/mol:	3.61
Dipole, Da:	4.55
IP(EA), eV:	-9.24(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(5-chlorothiophen-2-yl)-N',N'-diethyl-N-propylpropane-1,3-diamine

Drug info:

PubChemData

Smile

CCOC1=CC(=C(C=C1)C(C2=CC=C(S2)Cl)Br)Br

DOS

IR

Vibrations