Geometry & MOs

Info

ID:	426757
PubChem CID:	135153741
Reduced:	BrSO2N4C26H31 (1)
Stoich.:	ABC2D4E26F31 (1)
Weight, g/mol:	311.00581
ΔH_f, kcal/mol:	-22.41
Dipole, Da:	6.3
IP(EA), eV:	-8.4(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-bromo-4,6-dipyridin-3-ylpyridine

Drug info:

PubChemData

Smile

CC(C)CN(C1CCCCC1)C2=C(C=C(C=C2)C3=CC=CC=C3C(=O)OC)NC4=NC(=NS4)Br

DOS

IR

Vibrations