Geometry & MOs

Info

ID:	364914
PubChem CID:	127316560
Reduced:	ClON5C20H26 (1)
Stoich.:	ABC5D20E26 (1)
Weight, g/mol:	397.284161
ΔH_f, kcal/mol:	26.45
Dipole, Da:	6.94
IP(EA), eV:	-8.5(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1-tert-butyl-3-methyl-6-propan-2-ylpyrazolo[3,4-b]pyridin-4-yl)-(4-cyclobutylpiperazin-1-yl)methanone

Drug info:

PubChemData

Smile

CC(C)C1=NC(=NN1C2=CC=CC=C2Cl)C(=O)N3CCN(CC3)C4CCC4

DOS

IR

Vibrations