Geometry & MOs

Info

ID:	373911
PubChem CID:	131321237
Reduced:	NOC6H7 (2)
Stoich.:	ABC6D7 (2)
Weight, g/mol:	299.98196
ΔH_f, kcal/mol:	-47.76
Dipole, Da:	5.75
IP(EA), eV:	-9.27(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(bromomethyl)-5-ethoxy-6-methoxy-1-benzothiophene

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C=C(C(=N2)[C@@H](CCO)N)O

DOS

IR

Vibrations