Geometry & MOs

Info

ID:	249765
PubChem CID:	103091934
Reduced:	NOC13H19 (1)
Stoich.:	ABC13D19 (1)
Weight, g/mol:	244.98738
ΔH_f, kcal/mol:	-23.56
Dipole, Da:	1.83
IP(EA), eV:	-8.99(0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-4-(3-bromothiophen-2-yl)-3-methylbut-3-en-2-amine

Drug info:

PubChemData

Smile

CC(/C(=C\C1=CC=C(C=C1)COC)/C)N

DOS

IR

Vibrations