Geometry & MOs

Info

ID:	370646
PubChem CID:	127339805
Reduced:	O2N3C20H23 (1)
Stoich.:	A2B3C20D23 (1)
Weight, g/mol:	394.24811
ΔH_f, kcal/mol:	-11.82
Dipole, Da:	2.94
IP(EA), eV:	-9.09(-0.47)
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)-[4-(1-ethylpyrazol-4-yl)piperidin-1-yl]methanone

Drug info:

PubChemData

Smile

CCN1C=C(C=N1)C2CCN(CC2)C(=O)C3=CC4=CC=CC(=C4O3)C

DOS

IR

Vibrations