Geometry & MOs

Info

ID:	253168
PubChem CID:	103116482
Reduced:	O4N5C11H11 (1)
Stoich.:	A4B5C11D11 (1)
Weight, g/mol:	287.113073
ΔH_f, kcal/mol:	-85.74
Dipole, Da:	3.8
IP(EA), eV:	-9.66(-1.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CN2C(=C(C=N2)C(=O)NCC(=O)NCC(=O)O)C=N1

DOS

IR

Vibrations