Geometry & MOs

Info

ID:	254441
PubChem CID:	103125298
Reduced:	BrON3H10C14 (1)
Stoich.:	ABC3D10E14 (1)
Weight, g/mol:	170.069142
ΔH_f, kcal/mol:	59.58
Dipole, Da:	2.9
IP(EA), eV:	-9.35(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-(2-oxo-1H-imidazol-3-yl)propanoate

Drug info:

PubChemData

Smile

C1=CC2=C(C=NN2C=C1)C(=O)CC3=NC=C(C=C3)Br

DOS

IR

Vibrations