Geometry & MOs

Info

ID:	413093
PubChem CID:	135086037
Reduced:	INOC12H20 (1)
Stoich.:	ABCD12E20 (1)
Weight, g/mol:	319.02416
ΔH_f, kcal/mol:	-48.22
Dipole, Da:	3.5
IP(EA), eV:	-9.18(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-bromo-5-nitro-3-octylthiophene

Drug info:

PubChemData

Smile

CC(C)(CI)/C=C/C(=O)N1CCCCC1

DOS

IR

Vibrations