Geometry & MOs

Info

ID:	374335
PubChem CID:	131326962
Reduced:	OSN2C12H14 (1)
Stoich.:	ABC2D12E14 (1)
Weight, g/mol:	285.96631
ΔH_f, kcal/mol:	2.18
Dipole, Da:	4.16
IP(EA), eV:	-8.11(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(bromomethyl)-3,7-dimethoxy-1-benzothiophene

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)C2=NC(=C(S2)C)N)OC

DOS

IR

Vibrations