Geometry & MOs

Info

ID:	251579
PubChem CID:	103105005
Reduced:	O2N5C12H17 (1)
Stoich.:	A2B5C12D17 (1)
Weight, g/mol:	287.126991
ΔH_f, kcal/mol:	-5.39
Dipole, Da:	1.9
IP(EA), eV:	-9.8(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 1-(2,3-dihydro-1-benzofuran-2-ylmethyl)-5-methyltriazole-4-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(N(N=N1)CCC2=CC=NN2C)C

DOS

IR

Vibrations