Geometry & MOs

Info

ID:	142736
PubChem CID:	53083322
Reduced:	SO2N4H18C21 (1)
Stoich.:	AB2C4D18E21 (1)
Weight, g/mol:	400.189926
ΔH_f, kcal/mol:	37.42
Dipole, Da:	2.85
IP(EA), eV:	-8.47(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-(3-ethylphenyl)-3-oxopyrazolo[3,4-b]pyridin-1-yl]-N-(2-phenylethyl)acetamide

Drug info:

PubChemData

Smile

CSC1=CC=CC(=C1)NC(=O)CN2C3=C(C=CC=N3)C(=O)N2C4=CC=CC=C4

DOS

IR

Vibrations