Geometry & MOs

Info

ID:	202707
PubChem CID:	79712259
Reduced:	BrON3C16H20 (1)
Stoich.:	ABC3D16E20 (1)
Weight, g/mol:	349.07897
ΔH_f, kcal/mol:	14.59
Dipole, Da:	4.23
IP(EA), eV:	-8.57(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=CN=C1N(CCCN)C2=CC=C(C=C2)OC)Br

DOS

IR

Vibrations