Geometry & MOs

Info

ID:

383149

PubChem CID:

134974713

Reduced:

O2N3C6H12 (1)

Stoich.:

A2B3C6D12 (1)

Weight, g/mol:

157.085127

ΔHf, kcal/mol:

-44.42

Dipole, Da:

8.04

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.762889

Charge, e:

 0

Chem-info

IUPAC name:

1-(2-amino-2,3-dihydro-1H-imidazol-4-yl)-3-hydroxypropan-1-one

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations