Geometry & MOs

Info

ID:	174322
PubChem CID:	75751503
Reduced:	SN4O4C18H22 (1)
Stoich.:	AB4C4D18E22 (1)
Weight, g/mol:	394.10178
ΔH_f, kcal/mol:	-86.55
Dipole, Da:	9.26
IP(EA), eV:	-8.1(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

[3-(4-bromophenoxy)-2-hydroxypropyl]-[1-(2-methoxyphenyl)ethyl]-methylazanium

Drug info:

PubChemData

Smile

CS(=O)(=O)NCC1CCCC[NH+]1CC2=NC3=C(C(=N2)[O-])OC4=CC=CC=C43

DOS

IR

Vibrations