Geometry & MOs

Info

ID:	352487
PubChem CID:	127283575
Reduced:	ON5C20H23 (1)
Stoich.:	AB5C20D23 (1)
Weight, g/mol:	381.227709
ΔH_f, kcal/mol:	38.71
Dipole, Da:	5.03
IP(EA), eV:	-9.51(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1,6-di(propan-2-yl)pyrazolo[3,4-b]pyridin-4-yl]-[3-(1,2,4-triazol-1-yl)piperidin-1-yl]methanone

Drug info:

PubChemData

Smile

CC(C)C1=NC2=CC=CC=C2C(=C1)C(=O)N3CCCC(C3)N4C=NC=N4

DOS

IR

Vibrations