Geometry & MOs

Info

ID:	261576
PubChem CID:	103241208
Reduced:	N2O3H10C11 (1)
Stoich.:	A2B3C10D11 (1)
Weight, g/mol:	288.12224
ΔH_f, kcal/mol:	-47.99
Dipole, Da:	6.59
IP(EA), eV:	-9.35(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(2,3-dihydro-1-benzofuran-2-ylmethylamino)ethyl]triazole-4-carboxylic acid

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)OC2=CC(=O)NN=C2

DOS

IR

Vibrations