Geometry & MOs

Info

ID:	372836
PubChem CID:	131305759
Reduced:	ON3C12H21 (1)
Stoich.:	AB3C12D21 (1)
Weight, g/mol:	237.009579
ΔH_f, kcal/mol:	-45.82
Dipole, Da:	1.53
IP(EA), eV:	-8.5(1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-methoxy-6-nitro-1-benzothiophene-5-carbaldehyde

Drug info:

PubChemData

Smile

CCCC1=C(NC(=C1)N)N2CCC(CC2)O

DOS

IR

Vibrations