Geometry & MOs

Info

ID:	183063
PubChem CID:	76973951
Reduced:	NO3C5H7 (1)
Stoich.:	AB3C5D7 (1)
Weight, g/mol:	201.070838
ΔH_f, kcal/mol:	-132.24
Dipole, Da:	2.9
IP(EA), eV:	-10.56(0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[1-(trideuterio(113C)methyl)imidazol-4-yl]ethanamine;dihydrochloride

Drug info:

PubChemData

Smile

[13CH2]1[13CH2][13C](=O)N[13C@@H]1[13C](=O)O

DOS

IR

Vibrations