Geometry & MOs

Info

ID:	202706
PubChem CID:	79712258
Reduced:	FOSN2H11C16 (1)
Stoich.:	ABCD2E11F16 (1)
Weight, g/mol:	349.07897
ΔH_f, kcal/mol:	12.33
Dipole, Da:	3.19
IP(EA), eV:	-9.25(-1.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-(5-bromo-3-methylpyridin-2-yl)-N'-(4-methoxyphenyl)propane-1,3-diamine

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C(=O)CC2=CSC(=N2)C3=NC=C(C=C3)F

DOS

IR

Vibrations