Geometry & MOs

Info

ID:	371671
PubChem CID:	131270269
Reduced:	NO3C12H13 (1)
Stoich.:	AB3C12D13 (1)
Weight, g/mol:	303.97329
ΔH_f, kcal/mol:	-58.45
Dipole, Da:	3.84
IP(EA), eV:	-9.05(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(bromomethyl)-7-(difluoromethyl)-3-ethyl-1-benzothiophene

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=C1C)OC)OC)C(=O)C#N

DOS

IR

Vibrations