Geometry & MOs

Info

ID:	370752
PubChem CID:	127340114
Reduced:	ON2C11H14 (2)
Stoich.:	AB2C11D14 (2)
Weight, g/mol:	366.216809
ΔH_f, kcal/mol:	-31.26
Dipole, Da:	3.81
IP(EA), eV:	-9.32(0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1(CCCN1C(=O)C2=CC=CC=C2)C(=O)N3CCC(CC3)CN4C=CC=N4

DOS

IR

Vibrations