Geometry & MOs

Info

ID:	267420
PubChem CID:	103582167
Reduced:	BrClFN3C14H14 (1)
Stoich.:	ABCD3E14F14 (1)
Weight, g/mol:	303.01379
ΔH_f, kcal/mol:	6.51
Dipole, Da:	2.38
IP(EA), eV:	-8.76(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-(5-bromo-3-chloropyridin-2-yl)-N'-cyclopropylpropane-1,3-diamine

Drug info:

PubChemData

Smile

C1=CC(=CC=C1N(CCCN)C2=C(C=C(C=N2)Br)Cl)F

DOS

IR

Vibrations