Geometry & MOs

Info

ID:	89582
PubChem CID:	49962854
Reduced:	BrOSN2H11C14 (1)
Stoich.:	ABCD2E11F14 (1)
Weight, g/mol:	287.92782
ΔH_f, kcal/mol:	66.7
Dipole, Da:	2.87
IP(EA), eV:	-9.36(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5-bromothiophen-2-yl)-(5-methylthiophen-2-yl)methanol

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)C(C2=CC=C(S2)Br)O)N3C=CC=N3

DOS

IR

Vibrations