Geometry & MOs

Info

ID:	365847
PubChem CID:	127318787
Reduced:	BrO2N4C16H19 (1)
Stoich.:	AB2C4D16E19 (1)
Weight, g/mol:	366.216809
ΔH_f, kcal/mol:	-29.9
Dipole, Da:	3.0
IP(EA), eV:	-9.19(-0.74)
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-(1H-pyrazol-4-yl)piperidin-1-yl]methanone

Drug info:

PubChemData

Smile

C1CCN(C(C1)C2=CNN=C2)C(=O)CCN3C=C(C=CC3=O)Br

DOS

IR

Vibrations