Geometry & MOs

Info

ID:	130265
PubChem CID:	51075437
Reduced:	SO2N4C15H18 (1)
Stoich.:	AB2C4D15E18 (1)
Weight, g/mol:	301.153875
ΔH_f, kcal/mol:	-49.41
Dipole, Da:	7.25
IP(EA), eV:	-9.21(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-acetyl-N-(1,3-dimethylpyrazolo[3,4-b]pyridin-5-yl)pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=NC(=CC=C1)NC(=O)CCC2=C(NC(=NC2=O)SC)C

DOS

IR

Vibrations