Geometry & MOs

Info

ID:	5754
PubChem CID:	13682
Reduced:	ClNO3C10H16 (1)
Stoich.:	ABC3D10E16 (1)
Weight, g/mol:	233.081871
ΔH_f, kcal/mol:	-157.35
Dipole, Da:	6.37
IP(EA), eV:	-9.11(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-(3,4-dihydroxyphenyl)-1-hydroxypropan-2-yl]-methylazanium;chloride

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations