Geometry & MOs

Info

ID:	361602
PubChem CID:	127303868
Reduced:	OSN7C18H19 (1)
Stoich.:	ABC7D18E19 (1)
Weight, g/mol:	393.227709
ΔH_f, kcal/mol:	106.05
Dipole, Da:	7.06
IP(EA), eV:	-9.65(-1.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-(4-cyclopropyl-1,2,4-triazol-3-yl)piperidin-1-yl]-[1-(2-methylpropyl)pyrazolo[3,4-b]pyridin-5-yl]methanone

Drug info:

PubChemData

Smile

C1CC(CN(C1)C(=O)C2=CSC(=N2)C3=NC=CN=C3)C4=NN=CN4C5CC5

DOS

IR

Vibrations