Geometry & MOs

Info

ID:	253152
PubChem CID:	103116376
Reduced:	N3O3C14H15 (1)
Stoich.:	A3B3C14D15 (1)
Weight, g/mol:	292.164774
ΔH_f, kcal/mol:	-70.65
Dipole, Da:	8.87
IP(EA), eV:	-9.2(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(diethylamino)ethyl]-5-(1-methylimidazol-2-yl)triazole-4-carboxylic acid

Drug info:

PubChemData

Smile

CN1C2=CC=CC=C2C(=N1)C(=O)N3CCCC3C(=O)O

DOS

IR

Vibrations