Geometry & MOs

Info

ID:	375482
PubChem CID:	131529867
Reduced:	BrO3H9C10 (1)
Stoich.:	AB3C9D10 (1)
Weight, g/mol:	234.082684
ΔH_f, kcal/mol:	-89.96
Dipole, Da:	3.62
IP(EA), eV:	-9.95(-1.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-propan-2-yl-2-thiophen-2-ylimidazol-4-yl)ethanone

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1)Br)C(=O)C(=O)OC

DOS

IR

Vibrations