Geometry & MOs

Info

ID:	249911
PubChem CID:	103092815
Reduced:	BrClNSC11H15 (1)
Stoich.:	ABCDE11F15 (1)
Weight, g/mol:	287.03433
ΔH_f, kcal/mol:	25.35
Dipole, Da:	3.48
IP(EA), eV:	-9.12(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-4-(4-bromo-5-methylthiophen-2-yl)-N-propylbut-3-en-2-amine

Drug info:

PubChemData

Smile

CCCNC(C)/C=C/C1=CC(=C(S1)Cl)Br

DOS

IR

Vibrations