Geometry & MOs

Info

ID:	207957
PubChem CID:	80474264
Reduced:	BrClFOSH5C11 (1)
Stoich.:	ABCDEF5G11 (1)
Weight, g/mol:	271.9619
ΔH_f, kcal/mol:	-27.12
Dipole, Da:	3.65
IP(EA), eV:	-9.46(-1.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-bromothiophen-2-yl)-(1-methylpyrazol-3-yl)methanol

Drug info:

PubChemData

Smile

C1=CC(=C(C(=C1)Cl)F)C(=O)C2=C(C=CS2)Br

DOS

IR

Vibrations