Geometry & MOs

Info

ID:	371501
PubChem CID:	127346659
Reduced:	OSN6C15H20 (1)
Stoich.:	ABC6D15E20 (1)
Weight, g/mol:	383.268511
ΔH_f, kcal/mol:	44.24
Dipole, Da:	4.1
IP(EA), eV:	-9.07(-1.52)
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-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]methanone

Drug info:

PubChemData

Smile

C1CCN(C1)CC2CCN(C2)C(=O)C3=CSC(=N3)C4=NC=NN4

DOS

IR

Vibrations