Geometry & MOs

Info

ID:	373404
PubChem CID:	131314712
Reduced:	ON2C13H18 (1)
Stoich.:	AB2C13D18 (1)
Weight, g/mol:	223.030314
ΔH_f, kcal/mol:	-8.96
Dipole, Da:	2.34
IP(EA), eV:	-8.69(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-ethyl-5-nitro-1-benzothiophen-7-ol

Drug info:

PubChemData

Smile

CCN1CCC(CC1)(C=O)C2=CC=CC=N2

DOS

IR

Vibrations