Geometry & MOs

Info

ID:	360437
PubChem CID:	127301082
Reduced:	OSN5C19H23 (1)
Stoich.:	ABC5D19E23 (1)
Weight, g/mol:	366.216809
ΔH_f, kcal/mol:	35.7
Dipole, Da:	3.35
IP(EA), eV:	-8.82(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CN(N=C1)C2CCCN(C2)C(=O)CN(C)C3=NC4=CC=CC=C4S3

DOS

IR

Vibrations