Geometry & MOs

Info

ID:	12183
PubChem CID:	131917
Reduced:	OCl3N4C6H13 (1)
Stoich.:	AB3C4D6E13 (1)
Weight, g/mol:	262.015494
ΔH_f, kcal/mol:	-99.97
Dipole, Da:	6.01
IP(EA), eV:	-9.71(-0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,2S)-3-amino-1-(2-amino-1H-imidazol-5-yl)-2-chloropropan-1-ol;dihydrochloride

Drug info:

PubChemData

Smile

C1=C(NC(=N1)N)[C@@H]([C@H](CN)Cl)O.Cl.Cl

DOS

IR

Vibrations