Geometry & MOs

Info

ID:	209518
PubChem CID:	80682539
Reduced:	ON4C12H20 (1)
Stoich.:	AB4C12D20 (1)
Weight, g/mol:	236.09094
ΔH_f, kcal/mol:	-16.87
Dipole, Da:	4.1
IP(EA), eV:	-8.72(0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[2-(1-methyl-1,2,4-triazol-3-yl)ethylamino]furan-2-carboxylic acid

Drug info:

PubChemData

Smile

CN1C=C(C=N1)CCNC(=O)C2CCNCC2

DOS

IR

Vibrations