Geometry & MOs

Info

ID:	288335
PubChem CID:	104315106
Reduced:	OBr2N2C15H22 (1)
Stoich.:	AB2C2D15E22 (1)
Weight, g/mol:	398.97687
ΔH_f, kcal/mol:	-30.26
Dipole, Da:	2.91
IP(EA), eV:	-9.15(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3,5-dibromopyridin-2-yl)-(6-methylpyridin-3-yl)methyl]propan-1-amine

Drug info:

PubChemData

Smile

CCCNC(CC1CCOCC1)C2=C(C=C(C=N2)Br)Br

DOS

IR

Vibrations