Geometry & MOs

Info

ID:	299004
PubChem CID:	117667428
Reduced:	PSN2O10C36H71 (1)
Stoich.:	ABC2D10E36F71 (1)
Weight, g/mol:	242.080376
ΔH_f, kcal/mol:	-613.51
Dipole, Da:	0.89
IP(EA), eV:	-8.88(0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(pyridin-3-ylmethyl)-2,5-dihydro-1H-pyrazolo[4,3-c]pyridine-3,6-dione

Drug info:

PubChemData

Smile

CCCCCCCCCCCC(=O)OC[C@H](CSCCC(=O)NCCOCCOCC(N)P(=O)(O)O)OC(=O)CCCCCCCCCCC

DOS

IR

Vibrations