Geometry & MOs

Info

ID:

382956

PubChem CID:

134974407

Reduced:

ON3C6H10 (1)

Stoich.:

AB3C6D10 (1)

Weight, g/mol:

139.074562

ΔHf, kcal/mol:

42.1

Dipole, Da:

9.15

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.793723

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=C(NC([NH2+]1)N)C#CCO

DOS

IR

Vibrations