Geometry & MOs

Info

ID:	3318
PubChem CID:	9489
Reduced:	ClNO3C9H14 (1)
Stoich.:	ABC3D9E14 (1)
Weight, g/mol:	219.066221
ΔH_f, kcal/mol:	-153.09
Dipole, Da:	3.22
IP(EA), eV:	-8.93(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C[NH2+]CC(C1=CC(=C(C=C1)O)O)O.[Cl-]

DOS

IR

Vibrations