Geometry & MOs

Info

ID:	284055
PubChem CID:	104030737
Reduced:	BrClN2O3H8C12 (1)
Stoich.:	ABC2D3E8F12 (1)
Weight, g/mol:	296.9823
ΔH_f, kcal/mol:	8.3
Dipole, Da:	6.24
IP(EA), eV:	-9.68(-1.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-3-methyl-2-(2-thiophen-2-ylethoxy)pyridine

Drug info:

PubChemData

Smile

CC1=CC(=CN=C1OC2=C(C=C(C=C2)[N+](=O)[O-])Cl)Br

DOS

IR

Vibrations