Geometry & MOs

Info

ID:	203423
PubChem CID:	79827878
Reduced:	BrNOS2C16H18 (1)
Stoich.:	ABCD2E16F18 (1)
Weight, g/mol:	249.06689
ΔH_f, kcal/mol:	0.48
Dipole, Da:	1.97
IP(EA), eV:	-9.1(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(2-chloro-5-methylphenoxy)pyridine-2,3-diamine

Drug info:

PubChemData

Smile

CC(C)(C)C1=CSC(=N1)CC(=O)CSC2=CC(=CC=C2)Br

DOS

IR

Vibrations