Geometry & MOs

Info

ID:	373497
PubChem CID:	131316103
Reduced:	BrFN2H6C12 (1)
Stoich.:	ABC2D6E12 (1)
Weight, g/mol:	300.93724
ΔH_f, kcal/mol:	38.72
Dipole, Da:	3.83
IP(EA), eV:	-10.23(-1.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[7-bromo-3-(difluoromethyl)-1-benzothiophen-6-yl]acetonitrile

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)F)C2=C(C(=NC=C2)Br)C#N

DOS

IR

Vibrations