Geometry & MOs

Info

ID:	373500
PubChem CID:	131316193
Reduced:	N2C4H5 (2)
Stoich.:	A2B4C5 (2)
Weight, g/mol:	287.96198
ΔH_f, kcal/mol:	65.71
Dipole, Da:	8.22
IP(EA), eV:	-10.2(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(bromomethyl)-5-ethoxy-3-fluoro-1-benzothiophene

Drug info:

PubChemData

Smile

CC1=NC(=NC=C1C(C)N)C#N

DOS

IR

Vibrations