Geometry & MOs

Info

ID:	374941
PubChem CID:	131407453
Reduced:	ON4H6C7 (1)
Stoich.:	AB4C6D7 (1)
Weight, g/mol:	373.84103
ΔH_f, kcal/mol:	76.07
Dipole, Da:	5.68
IP(EA), eV:	-9.55(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-bromo-6-(bromomethyl)-4-(trifluoromethyl)-1-benzothiophene

Drug info:

PubChemData

Smile

C1=CN2C=C(OC2=N1)C(C#N)N

DOS

IR

Vibrations