Geometry & MOs

Info

ID:	73748
PubChem CID:	48420298
Reduced:	O3N5H17C20 (1)
Stoich.:	A3B5C17D20 (1)
Weight, g/mol:	414.144038
ΔH_f, kcal/mol:	24.42
Dipole, Da:	3.5
IP(EA), eV:	-9.51(-1.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(1,2,4-triazol-1-yl)ethyl 1-(furan-2-ylmethyl)-6-phenylpyrazolo[3,4-b]pyridine-4-carboxylate

Drug info:

PubChemData

Smile

CC1=CC=CC=C1C2=NN=C(O2)C3=CC=C(C=C3)C(=O)OCCN4C=NC=N4

DOS

IR

Vibrations