Geometry & MOs

Info

ID:	355587
PubChem CID:	127289345
Reduced:	ON6C15H22 (1)
Stoich.:	AB6C15D22 (1)
Weight, g/mol:	395.243359
ΔH_f, kcal/mol:	26.89
Dipole, Da:	7.82
IP(EA), eV:	-8.83(0.42)
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-methylimidazol-2-yl)methyl]piperazin-1-yl]methanone

Drug info:

PubChemData

Smile

CN1C=CN=C1CN2CCN(CC2)C(=O)CC3=CN(N=C3)C

DOS

IR

Vibrations