Geometry & MOs

Info

ID:	270903
PubChem CID:	103638675
Reduced:	SCl2N2O2C10H10 (1)
Stoich.:	AB2C2D2E10F10 (1)
Weight, g/mol:	329.07389
ΔH_f, kcal/mol:	-44.84
Dipole, Da:	5.3
IP(EA), eV:	-9.82(-1.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-bromo-2-nitrophenyl)-N'-methyl-N'-propan-2-ylpropane-1,3-diamine

Drug info:

PubChemData

Smile

C1CNC(=O)CN(C1)C(=O)C2=C(SC(=C2)Cl)Cl

DOS

IR

Vibrations