Geometry & MOs

Info

ID:	432212
PubChem CID:	135172344
Reduced:	ON8C21H30 (1)
Stoich.:	AB8C21D30 (1)
Weight, g/mol:	405.12766
ΔH_f, kcal/mol:	59.33
Dipole, Da:	1.45
IP(EA), eV:	-8.33(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-bromo-3-hexan-2-yl-1-methyl-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]pyrazolo[3,4-b]pyridin-4-amine

Drug info:

PubChemData

Smile

CCOC1=C(C=CC=N1)C2=NC3=C(C(=C2)NC/C(=C/N(C)N)/N)C(=NN3C)C(C)C

DOS

IR

Vibrations