Geometry & MOs

Info

ID:	374957
PubChem CID:	131407833
Reduced:	ClNO2C12H12 (1)
Stoich.:	ABC2D12E12 (1)
Weight, g/mol:	239.025229
ΔH_f, kcal/mol:	-56.9
Dipole, Da:	2.99
IP(EA), eV:	-10.22(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5-methoxy-2-nitro-1-benzothiophen-3-yl)methanol

Drug info:

PubChemData

Smile

COC(=O)CCC1=C(C=CC=C1C#N)CCl

DOS

IR

Vibrations