Geometry & MOs

Info

ID:	370772
PubChem CID:	127340552
Reduced:	ClON5C19H24 (1)
Stoich.:	ABC5D19E24 (1)
Weight, g/mol:	369.252861
ΔH_f, kcal/mol:	33.36
Dipole, Da:	5.3
IP(EA), eV:	-8.76(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-cyclopentyl-1,4-diazepan-1-yl)-[1-(2-methylpropyl)pyrazolo[3,4-b]pyridin-5-yl]methanone

Drug info:

PubChemData

Smile

C1CCC(C1)N2CCCN(CC2)C(=O)C3=CN(N=N3)C4=CC=CC=C4Cl

DOS

IR

Vibrations