Geometry & MOs

Info

ID:	122913
PubChem CID:	50826533
Reduced:	O3N4H24C26 (1)
Stoich.:	A3B4C24D26 (1)
Weight, g/mol:	441.227709
ΔH_f, kcal/mol:	-18.67
Dipole, Da:	3.49
IP(EA), eV:	-8.8(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-(benzylamino)-1,3-dimethylpyrazolo[3,4-b]pyridin-5-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)C2=CN=C(N=C2)NC3=CC=CC(=C3)C(=O)NC4=CC(=CC(=C4)OC)OC

DOS

IR

Vibrations