Geometry & MOs

Info

ID:	25771
PubChem CID:	630516
Reduced:	BrH7C10 (2)
Stoich.:	AB7C10 (2)
Weight, g/mol:	333.033876
ΔH_f, kcal/mol:	64.15
Dipole, Da:	2.17
IP(EA), eV:	-8.74(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-chloro-4,6-dimethyl-2-(4-nitrophenyl)thieno[2,3-b]pyridin-3-amine

Drug info:

PubChemData

Smile

C1=CC2=C(C3=C1C=CC(=C3)CBr)C4=C(C=C2)C=CC(=C4)CBr

DOS

IR

Vibrations