Geometry & MOs

Info

ID:	27176
PubChem CID:	818878
Reduced:	BrOH2C3 (2)
Stoich.:	ABC2D3 (2)
Weight, g/mol:	203.92445
ΔH_f, kcal/mol:	-33.24
Dipole, Da:	3.08
IP(EA), eV:	-9.79(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-bromo-5-methylthiophene-2-carbaldehyde

Drug info:

PubChemData

Smile

CC(=O)C1=CC(=C(O1)Br)Br

DOS

IR

Vibrations