Geometry & MOs

Info

ID:	207966
PubChem CID:	80475070
Reduced:	BrClSN4C12H12 (1)
Stoich.:	ABCD4E12F12 (1)
Weight, g/mol:	262.99795
ΔH_f, kcal/mol:	64.77
Dipole, Da:	3.37
IP(EA), eV:	-9.23(-1.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-bromothiophen-2-yl)-4-(methylamino)butan-2-ol

Drug info:

PubChemData

Smile

C1CCN(CC1)C2=NC(=NC(=N2)C3=C(C=CS3)Br)Cl

DOS

IR

Vibrations