Geometry & MOs

Info

ID:	382955
PubChem CID:	134974406
Reduced:	NO3C6H13 (1)
Stoich.:	AB3C6D13 (1)
Weight, g/mol:	140.082387
ΔH_f, kcal/mol:	-145.77
Dipole, Da:	3.0
IP(EA), eV:	-9.57(1.64)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

3-(2-amino-2,3-dihydro-1H-imidazol-1-ium-4-yl)prop-2-yn-1-ol

Drug info:

PubChemData

Smile

C[C@@H]1C([C@@H](C(N1)CO)O)O

DOS

IR

Vibrations