Geometry & MOs

Info

ID:	374795
PubChem CID:	131344939
Reduced:	ClNO3H8C10 (1)
Stoich.:	ABC3D8E10 (1)
Weight, g/mol:	256.032479
ΔH_f, kcal/mol:	-80.12
Dipole, Da:	2.44
IP(EA), eV:	-10.29(-1.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-(chloromethyl)-3-ethoxy-2-methoxy-1-benzothiophene

Drug info:

PubChemData

Smile

COC(=O)C1=C(C=CC(=C1Cl)C#N)CO

DOS

IR

Vibrations