Geometry & MOs

Info

ID:	126770
PubChem CID:	50977709
Reduced:	N2S2O3C16H18 (1)
Stoich.:	A2B2C3D16E18 (1)
Weight, g/mol:	341.131031
ΔH_f, kcal/mol:	-67.51
Dipole, Da:	5.18
IP(EA), eV:	-8.67(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(1-propylimidazol-2-yl)-1-(thiophen-2-ylmethyl)-4,5-dihydro-2H-pyrazolo[3,4-b]pyridin-6-one

Drug info:

PubChemData

Smile

C1COC2=C(O1)C=CC(=C2)SCCC(=O)NCCC3=NC=CS3

DOS

IR

Vibrations