Geometry & MOs

Info

ID:	283019
PubChem CID:	103953529
Reduced:	BrOSN2C12H13 (1)
Stoich.:	ABCD2E12F13 (1)
Weight, g/mol:	293.108565
ΔH_f, kcal/mol:	12.56
Dipole, Da:	3.09
IP(EA), eV:	-9.15(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[1-(5-methylthiophen-2-yl)propan-2-ylamino]methyl]benzene-1,2,3-triol

Drug info:

PubChemData

Smile

C1=CC(=NC(=C1)Br)CNCC(C2=CSC=C2)O

DOS

IR

Vibrations