Geometry & MOs

Info

ID:	227906
PubChem CID:	87562947
Reduced:	BrClN3O5H9C15 (1)
Stoich.:	ABC3D5E9F15 (1)
Weight, g/mol:	226.157382
ΔH_f, kcal/mol:	-81.3
Dipole, Da:	4.71
IP(EA), eV:	-9.17(-2.33)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

(3-chloro-3-hydroxypropyl)-trimethylazanium;ethoxyethane

Drug info:

PubChemData

Smile

C1=CC(=CC=C1C2=C3C(=C(N=C(C3=O)C(=O)C(C(=O)O)N)Br)ON2)Cl

DOS

IR

Vibrations