Geometry & MOs

Info

ID:	374252
PubChem CID:	131325858
Reduced:	N2O3C10H16 (1)
Stoich.:	A2B3C10D16 (1)
Weight, g/mol:	350.83873
ΔH_f, kcal/mol:	-116.16
Dipole, Da:	3.23
IP(EA), eV:	-9.97(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-bromo-6-(bromomethyl)-2-nitro-1-benzothiophene

Drug info:

PubChemData

Smile

CCC(C)N1C(=CN=C1COC)C(=O)O

DOS

IR

Vibrations