Geometry & MOs

Info

ID:	202709
PubChem CID:	79712261
Reduced:	FOSN2H13C14 (1)
Stoich.:	ABCD2E13F14 (1)
Weight, g/mol:	334.07931
ΔH_f, kcal/mol:	-38.25
Dipole, Da:	4.05
IP(EA), eV:	-9.23(-1.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-(5-bromo-3-methylpyridin-2-yl)-N'-(pyridin-3-ylmethyl)propane-1,3-diamine

Drug info:

PubChemData

Smile

CC1(CC2=C(C(=O)C1)SC(=N2)C3=NC=C(C=C3)F)C

DOS

IR

Vibrations