Geometry & MOs

Info

ID:	73744
PubChem CID:	48420292
Reduced:	SN4O4H14C15 (1)
Stoich.:	AB4C4D14E15 (1)
Weight, g/mol:	362.149124
ΔH_f, kcal/mol:	-59.58
Dipole, Da:	8.21
IP(EA), eV:	-9.31(-1.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(SC(=C1)NC(=O)C2=CC=CO2)C(=O)OCCN3C=NC=N3

DOS

IR

Vibrations