Geometry & MOs

Info

ID:	227418
PubChem CID:	87561720
Reduced:	Cl2N3O3H6F9C18 (1)
Stoich.:	A2B3C3D6E9F18 (1)
Weight, g/mol:	211.05718
ΔH_f, kcal/mol:	-424.9
Dipole, Da:	5.47
IP(EA), eV:	-10.18(-2.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-hydroxyethyl-dimethyl-propylazanium;bromide

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1C(=O)NC2=C(C=C(C=C2Cl)C(C(C(F)(F)F)(F)F)(C(F)(F)F)F)Cl)[N+](=O)[O-])C#N

DOS

IR

Vibrations