Geometry & MOs

Info

ID:	371796
PubChem CID:	131271686
Reduced:	BrNO3H8C10 (1)
Stoich.:	ABC3D8E10 (1)
Weight, g/mol:	300.93724
ΔH_f, kcal/mol:	-69.14
Dipole, Da:	2.72
IP(EA), eV:	-10.26(-1.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[5-bromo-2-(difluoromethyl)-1-benzothiophen-4-yl]acetonitrile

Drug info:

PubChemData

Smile

COC(=O)C1=C(C=C(C(=C1)CO)C#N)Br

DOS

IR

Vibrations