Geometry & MOs

Info

ID:	374314
PubChem CID:	131326593
Reduced:	O2N3C11H19 (1)
Stoich.:	A2B3C11D19 (1)
Weight, g/mol:	225.009579
ΔH_f, kcal/mol:	-97.62
Dipole, Da:	4.14
IP(EA), eV:	-10.02(0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-(hydroxymethyl)-6-nitro-1-benzothiophen-2-ol

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)NC1CCC(C1)(C#N)N

DOS

IR

Vibrations