Geometry & MOs

Info

ID:	307147
PubChem CID:	125275410
Reduced:	N3O3H17C19 (1)
Stoich.:	A3B3C17D19 (1)
Weight, g/mol:	395.114903
ΔH_f, kcal/mol:	12.05
Dipole, Da:	3.5
IP(EA), eV:	-8.98(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3aS,5S)-5-[(4-chlorophenyl)methyl]-2-(4,6-dimethylpyrimidin-2-yl)-6-methyl-3a,5-dihydropyrazolo[3,4-b]pyridine-3,4-dione

Drug info:

PubChemData

Smile

C1C(=C2C=CC=CC2=N1)CCC(=O)N/N=C\C3=C4C(=CC=C3)OCO4

DOS

IR

Vibrations