Geometry & MOs

Info

ID:	429726
PubChem CID:	135169777
Reduced:	ClSO2F3N8H13C20 (1)
Stoich.:	ABC2D3E8F13G20 (1)
Weight, g/mol:	187.99491
ΔH_f, kcal/mol:	5.88
Dipole, Da:	6.99
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.310811
Charge, e:	0

Chem-info

IUPAC name:

3-bromo-6-methyl-2H-pyridin-1-amine

Drug info:

PubChemData

Smile

CO[N+]1=CC2=C(C=CS2)C(=C1)N3C(=C(C=N3)C(=O)NC4=CC(=C(N=C4)N5N=CC=N5)Cl)C(F)(F)F

DOS

IR

Vibrations