Geometry & MOs

Info

ID:	199869
PubChem CID:	79310881
Reduced:	O3N6H10C11 (1)
Stoich.:	A3B6C10D11 (1)
Weight, g/mol:	262.117824
ΔH_f, kcal/mol:	9.17
Dipole, Da:	6.42
IP(EA), eV:	-10.44(-1.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1C(CN1C(=O)C2=NC=CN=C2)N3C=C(N=N3)C(=O)O

DOS

IR

Vibrations