Geometry & MOs

Info

ID:	288344
PubChem CID:	104315178
Reduced:	SBr2N2O2C14H22 (1)
Stoich.:	AB2C2D2E14F22 (1)
Weight, g/mol:	398.97687
ΔH_f, kcal/mol:	-75.76
Dipole, Da:	5.6
IP(EA), eV:	-8.37(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCNC(CCCS(=O)(=O)CC)C1=C(C=C(C=N1)Br)Br

DOS

IR

Vibrations