Geometry & MOs

Info

ID:	55717
PubChem CID:	17396093
Reduced:	OS2N3C17H17 (1)
Stoich.:	AB2C3D17E17 (1)
Weight, g/mol:	351.169525
ΔH_f, kcal/mol:	44.18
Dipole, Da:	4.41
IP(EA), eV:	-9.0(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(ethylcarbamoyl)phenyl]-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide

Drug info:

PubChemData

Smile

CC1=C(SC(=N1)C2=CSC=C2)C(=O)N(C)CCC3=CC=CC=N3

DOS

IR

Vibrations