Geometry & MOs

Info

ID:	374046
PubChem CID:	131322982
Reduced:	OSN4C10H14 (1)
Stoich.:	ABC4D10E14 (1)
Weight, g/mol:	291.9369
ΔH_f, kcal/mol:	38.25
Dipole, Da:	5.28
IP(EA), eV:	-9.63(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[6-bromo-7-(difluoromethyl)-1-benzothiophen-2-yl]methanol

Drug info:

PubChemData

Smile

CC1=C(C(=NO1)C)CC2=NSC(=N2)C(C)N

DOS

IR

Vibrations