Geometry & MOs

Info

ID:	373639
PubChem CID:	131318130
Reduced:	BrFNOH11C12 (1)
Stoich.:	ABCDE11F12 (1)
Weight, g/mol:	301.94347
ΔH_f, kcal/mol:	-17.97
Dipole, Da:	4.15
IP(EA), eV:	-9.65(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-(bromomethyl)-7-methylsulfanyl-1-benzothiophen-4-yl]methanol

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=C1OC)C2(CC2)C#N)F)Br

DOS

IR

Vibrations