Geometry & MOs

Info

ID:	370807
PubChem CID:	127340622
Reduced:	ON3C9H13 (2)
Stoich.:	AB3C9D13 (2)
Weight, g/mol:	397.284161
ΔH_f, kcal/mol:	-32.94
Dipole, Da:	1.55
IP(EA), eV:	-8.73(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-cyclopentyl-1,4-diazepan-1-yl)-[1,6-di(propan-2-yl)pyrazolo[3,4-b]pyridin-4-yl]methanone

Drug info:

PubChemData

Smile

CN1C2=C(C=N1)C(=O)N(C=N2)CC(=O)N3CCCN(CC3)C4CCCC4

DOS

IR

Vibrations