Geometry & MOs

Info

ID:	370804
PubChem CID:	127340619
Reduced:	O2N4C19H32 (1)
Stoich.:	A2B4C19D32 (1)
Weight, g/mol:	399.263425
ΔH_f, kcal/mol:	-62.91
Dipole, Da:	4.96
IP(EA), eV:	-8.73(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[3-(4-cyclopentyl-1,4-diazepan-1-yl)-3-oxopropyl]-1,3,4-trimethyl-2H-pyrazolo[3,4-b]pyridin-6-one

Drug info:

PubChemData

Smile

CC(C)(C)C1=NOC(=N1)CCC(=O)N2CCCN(CC2)C3CCCC3

DOS

IR

Vibrations