Geometry & MOs

Info

ID:	393700
PubChem CID:	135021493
Reduced:	OH3C4 (4)
Stoich.:	AB3C4 (4)
Weight, g/mol:	264.082016
ΔH_f, kcal/mol:	-97.13
Dipole, Da:	2.51
IP(EA), eV:	-8.89(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-butyl-7-hydroxy-1-benzothiophene-6-carboxylate

Drug info:

PubChemData

Smile

COC(=O)C1=C(C2=C(C=CO2)C(=C1)C3=CC=CC=C3)O

DOS

IR

Vibrations