Geometry & MOs

Info

ID:	3317
PubChem CID:	9488
Reduced:	ClNO3C8H12 (1)
Stoich.:	ABC3D8E12 (1)
Weight, g/mol:	205.050571
ΔH_f, kcal/mol:	-149.36
Dipole, Da:	3.27
IP(EA), eV:	-8.89(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(3,4-dihydroxyphenyl)-2-hydroxyethyl]azanium;chloride

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1C(C[NH3+])O)O)O.[Cl-]

DOS

IR

Vibrations