Geometry & MOs

Info

ID:	365191
PubChem CID:	127317008
Reduced:	O2N5C20H27 (1)
Stoich.:	A2B5C20D27 (1)
Weight, g/mol:	353.232794
ΔH_f, kcal/mol:	-33.42
Dipole, Da:	2.84
IP(EA), eV:	-8.83(0.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]methyl]-1-propan-2-ylpyrazolo[3,4-b]pyridine

Drug info:

PubChemData

Smile

CN1C=CN=C1CN2CCN(CC2)CC(=O)NC3CCOC4=CC=CC=C34

DOS

IR

Vibrations