Geometry & MOs

Info

ID:	253031
PubChem CID:	103115603
Reduced:	O4N6C11H12 (1)
Stoich.:	A4B6C11D12 (1)
Weight, g/mol:	288.097088
ΔH_f, kcal/mol:	-72.57
Dipole, Da:	3.57
IP(EA), eV:	-10.0(-1.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(3-methylimidazol-4-yl)-1-[(5-methyl-1,2-oxazol-3-yl)methyl]triazole-4-carboxylic acid

Drug info:

PubChemData

Smile

CN1C=NC=C1C2=C(N=NN2CC3CNC(=O)O3)C(=O)O

DOS

IR

Vibrations