Geometry & MOs

Info

ID:	126246
PubChem CID:	50956737
Reduced:	ON2C10H12 (2)
Stoich.:	AB2C10D12 (2)
Weight, g/mol:	273.15896
ΔH_f, kcal/mol:	2.41
Dipole, Da:	7.71
IP(EA), eV:	-8.37(0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-tert-butyl-4-(1H-imidazol-2-yl)-1-methyl-4,5-dihydro-2H-pyrazolo[3,4-b]pyridin-6-one

Drug info:

PubChemData

Smile

CC(C)N1C=C(C=N1)C2=C(N=CN2CC3COCCO3)C4=CC=CC=C4

DOS

IR

Vibrations