Geometry & MOs

Info

ID:	25707
PubChem CID:	629452
Reduced:	NBr2O4C11H11 (1)
Stoich.:	AB2C4D11E11 (1)
Weight, g/mol:	378.295637
ΔH_f, kcal/mol:	-139.24
Dipole, Da:	7.65
IP(EA), eV:	-9.6(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-methyl-5-tridecylthiophen-2-yl)hexan-1-one

Drug info:

PubChemData

Smile

CC(=O)CNC(C1=CC(=C(C(=C1)Br)O)Br)C(=O)O

DOS

IR

Vibrations