Geometry & MOs

Info

ID:	73772
PubChem CID:	48420393
Reduced:	O3N4H18C19 (1)
Stoich.:	A3B4C18D19 (1)
Weight, g/mol:	300.133474
ΔH_f, kcal/mol:	0.75
Dipole, Da:	5.2
IP(EA), eV:	-9.22(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(1,2,4-triazol-1-yl)ethyl 1,3,6-trimethylpyrazolo[3,4-b]pyridine-5-carboxylate

Drug info:

PubChemData

Smile

C1=CC=NC(=C1)COC2=CC=C(C=C2)/C=C/C(=O)OCCN3C=NC=N3

DOS

IR

Vibrations