Geometry & MOs

Info

ID:	350370
PubChem CID:	127277448
Reduced:	O2N4C21H28 (1)
Stoich.:	A2B4C21D28 (1)
Weight, g/mol:	355.237211
ΔH_f, kcal/mol:	-41.27
Dipole, Da:	7.62
IP(EA), eV:	-8.92(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CCN(C1)CC2CCN(CC2)C(=O)CCN3C4=CC=CC=C4C(=O)C=N3

DOS

IR

Vibrations