Geometry & MOs

Info

ID:	429911
PubChem CID:	135169966
Reduced:	O3N6C11H12 (1)
Stoich.:	A3B6C11D12 (1)
Weight, g/mol:	226.94043
ΔH_f, kcal/mol:	40.09
Dipole, Da:	5.08
IP(EA), eV:	-8.81(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-bromo-2-methylthieno[2,3-c]pyridine

Drug info:

PubChemData

Smile

COC(=O)C1C=NN(N1)C2=C(C=C(C=N2)NOC)C#N

DOS

IR

Vibrations