Geometry & MOs

Info

ID:	372807
PubChem CID:	131305157
Reduced:	BrN2O2H9C10 (1)
Stoich.:	AB2C2D9E10 (1)
Weight, g/mol:	265.977998
ΔH_f, kcal/mol:	-48.81
Dipole, Da:	7.49
IP(EA), eV:	-9.46(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[7-chloro-6-(trifluoromethyl)-1-benzothiophen-3-yl]methanol

Drug info:

PubChemData

Smile

C1=CC2=C(C(=C1CBr)CC(=O)O)N=CN2

DOS

IR

Vibrations