Geometry & MOs

Info

ID:	254345
PubChem CID:	103124512
Reduced:	O3N5C8H9 (1)
Stoich.:	A3B5C8D9 (1)
Weight, g/mol:	180.053492
ΔH_f, kcal/mol:	-44.19
Dipole, Da:	5.57
IP(EA), eV:	-9.09(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-oxo-1H-imidazol-3-yl)pent-4-ynoic acid

Drug info:

PubChemData

Smile

C1=CN(C(=O)N1)CC2=CN(N=N2)CC(=O)O

DOS

IR

Vibrations