Geometry & MOs

Info

ID:	374806
PubChem CID:	131346990
Reduced:	OBr2F4H4C8 (1)
Stoich.:	AB2C4D4E8 (1)
Weight, g/mol:	278.97173
ΔH_f, kcal/mol:	-223.63
Dipole, Da:	2.23
IP(EA), eV:	-10.01(-1.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-(bromomethyl)-3-methyl-1-benzothiophen-4-yl]acetonitrile

Drug info:

PubChemData

Smile

C1=C(C(=CC(=C1OC(F)(F)F)F)Br)CBr

DOS

IR

Vibrations