Geometry & MOs

Info

ID:	249945
PubChem CID:	103093030
Reduced:	BrClNC12H15 (1)
Stoich.:	ABCD12E15 (1)
Weight, g/mol:	259.00303
ΔH_f, kcal/mol:	13.82
Dipole, Da:	4.32
IP(EA), eV:	-9.06(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-4-(5-bromothiophen-2-yl)-N,3-dimethylbut-3-en-2-amine

Drug info:

PubChemData

Smile

CC(/C(=C/C1=C(C=C(C=C1)Br)Cl)/C)NC

DOS

IR

Vibrations