Geometry & MOs

Info

ID:	372584
PubChem CID:	131300282
Reduced:	NOC10H13 (1)
Stoich.:	ABC10D13 (1)
Weight, g/mol:	240.027872
ΔH_f, kcal/mol:	-39.9
Dipole, Da:	1.11
IP(EA), eV:	-8.23(0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-ethoxy-7-methylsulfanyl-1-benzothiophen-5-ol

Drug info:

PubChemData

Smile

C[C@@H]1CC2=C(N1)C=C(C=C2O)C

DOS

IR

Vibrations