Geometry & MOs

Info

ID:	65464
PubChem CID:	38671725
Reduced:	O3N4H26C29 (1)
Stoich.:	A3B4C26D29 (1)
Weight, g/mol:	412.156912
ΔH_f, kcal/mol:	8.03
Dipole, Da:	8.44
IP(EA), eV:	-8.79(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S)-1-oxo-1-[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]propan-2-yl] 1,3,6-trimethylpyrazolo[3,4-b]pyridine-5-carboxylate

Drug info:

PubChemData

Smile

CC1=CC(=C(N1C(C2=CC=CC=C2)C3=CC=CC=C3)C)C(=O)CN4C(=O)C(=CN(C4=O)C5CC5)C#N

DOS

IR

Vibrations