Geometry & MOs

Info

ID:	349829
PubChem CID:	127276221
Reduced:	O2N3C21H37 (1)
Stoich.:	A2B3C21D37 (1)
Weight, g/mol:	383.268511
ΔH_f, kcal/mol:	-142.79
Dipole, Da:	1.27
IP(EA), eV:	-8.72(0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1-butan-2-yl-6-methylpyrazolo[3,4-b]pyridin-4-yl)-[2-(piperidin-1-ylmethyl)pyrrolidin-1-yl]methanone

Drug info:

PubChemData

Smile

CC(C(=O)N1CCCC1CN2CCCCC2)NC(=O)CC3CCCCC3

DOS

IR

Vibrations