Geometry & MOs

Info

ID:	54856
PubChem CID:	17389410
Reduced:	BrSN3C15H20 (1)
Stoich.:	ABC3D15E20 (1)
Weight, g/mol:	378.99694
ΔH_f, kcal/mol:	26.81
Dipole, Da:	6.75
IP(EA), eV:	-9.07(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(4-bromophenyl)-2-oxoethyl]-triethylazanium;bromide

Drug info:

PubChemData

Smile

C1CCC(CC1)NC2=NN=C(CS2)C3=CC=CC=C3.Br

DOS

IR

Vibrations