Geometry & MOs

Info

ID:	216909
PubChem CID:	85086957
Reduced:	ON2H18C21 (1)
Stoich.:	AB2C18D21 (1)
Weight, g/mol:	314.185509
ΔH_f, kcal/mol:	26.67
Dipole, Da:	4.04
IP(EA), eV:	-8.62(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-ethyl-N-(3-methylbutan-2-yl)-5-(5-methyl-1,3,4-oxadiazol-2-yl)pyrazolo[3,4-b]pyridin-4-amine

Drug info:

PubChemData

Smile

C1C2CC3=NC4=CC=CC=C4C(=C3C(CC1=O)C5=CC=CC=C25)N

DOS

IR

Vibrations