Geometry & MOs

Info

ID:	38359
PubChem CID:	8032446
Reduced:	N3O4C24H25 (1)
Stoich.:	A3B4C24D25 (1)
Weight, g/mol:	417.216475
ΔH_f, kcal/mol:	-91.86
Dipole, Da:	5.91
IP(EA), eV:	-8.2(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[(4-tert-butylphenyl)methyl]-2-(4,6-dimethylpyrimidin-2-yl)-6-methyl-1,7-dihydropyrazolo[3,4-b]pyridine-3,4-dione

Drug info:

PubChemData

Smile

CCCCOC1=C(C=C(C=C1)[C@@H]2CC(=O)NC3=C2C(=O)N=C(N3)C4=CC=CC=C4)OC

DOS

IR

Vibrations