Geometry & MOs

Info

ID:	249849
PubChem CID:	103092510
Reduced:	BrClNSC10H13 (1)
Stoich.:	ABCDE10F13 (1)
Weight, g/mol:	273.01868
ΔH_f, kcal/mol:	30.27
Dipole, Da:	3.37
IP(EA), eV:	-9.13(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations