Geometry & MOs

Info

ID:	372977
PubChem CID:	131307884
Reduced:	INOC10H12 (1)
Stoich.:	ABCD10E12 (1)
Weight, g/mol:	225.009579
ΔH_f, kcal/mol:	10.16
Dipole, Da:	4.19
IP(EA), eV:	-8.44(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-(hydroxymethyl)-5-nitro-1-benzothiophen-6-ol

Drug info:

PubChemData

Smile

C1CC1COC2=C(C=CC(=C2)N)I

DOS

IR

Vibrations