Geometry & MOs

Info

ID:	201388
PubChem CID:	79531883
Reduced:	BrSN3C13H16 (1)
Stoich.:	ABC3D13E16 (1)
Weight, g/mol:	330.99319
ΔH_f, kcal/mol:	45.9
Dipole, Da:	0.7
IP(EA), eV:	-8.15(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-bromo-2-N-[3-(trifluoromethyl)phenyl]pyridine-2,5-diamine

Drug info:

PubChemData

Smile

CCCC(C1=CC=CS1)NC2=C(C=C(C=N2)N)Br

DOS

IR

Vibrations