Geometry & MOs

Info

ID:	370686
PubChem CID:	127339875
Reduced:	O3N6C18H20 (1)
Stoich.:	A3B6C18D20 (1)
Weight, g/mol:	392.23246
ΔH_f, kcal/mol:	-60.4
Dipole, Da:	5.55
IP(EA), eV:	-9.62(-1.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(6-cyclopropyl-1-propan-2-ylpyrazolo[3,4-b]pyridin-4-yl)-[4-(2-methylpyrazol-3-yl)piperidin-1-yl]methanone

Drug info:

PubChemData

Smile

CN1C(=CC=N1)C2CCN(CC2)C(=O)C3=CC4=C(N=C3)N(C(=O)NC4=O)C

DOS

IR

Vibrations