Geometry & MOs

Info

ID:	355579
PubChem CID:	127289337
Reduced:	O2N5C19H31 (1)
Stoich.:	A2B5C19D31 (1)
Weight, g/mol:	353.196408
ΔH_f, kcal/mol:	-84.61
Dipole, Da:	4.6
IP(EA), eV:	-8.82(0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3,6-dimethyl-2H-pyrazolo[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)CNC(=O)CC3CCCCC3

DOS

IR

Vibrations