Geometry & MOs

Info

ID:	349836
PubChem CID:	127276228
Reduced:	OSN6C16H22 (1)
Stoich.:	ABC6D16E22 (1)
Weight, g/mol:	369.252861
ΔH_f, kcal/mol:	34.13
Dipole, Da:	1.93
IP(EA), eV:	-8.64(-1.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CCN(CC1)CC2CCCN2C(=O)C3=CSC(=N3)C4=NC=NN4

DOS

IR

Vibrations