Geometry & MOs

Info

ID:	336821
PubChem CID:	127255828
Reduced:	BrON3C6H6 (1)
Stoich.:	ABC3D6E6 (1)
Weight, g/mol:	317.069782
ΔH_f, kcal/mol:	-25.76
Dipole, Da:	7.1
IP(EA), eV:	-9.19(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-amino-3-(1-benzylimidazol-4-yl)propanoic acid;dihydrochloride

Drug info:

PubChemData

Smile

C1=CNC(=O)C2=C1NC=N2.Br

DOS

IR

Vibrations