Geometry & MOs

Info

ID:	363770
PubChem CID:	127313410
Reduced:	ClO2N3C21H28 (1)
Stoich.:	AB2C3D21E28 (1)
Weight, g/mol:	384.227374
ΔH_f, kcal/mol:	-56.54
Dipole, Da:	5.22
IP(EA), eV:	-8.8(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[4-(cyclobutanecarbonyl)piperazin-1-yl]ethyl]-1,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxamide

Drug info:

PubChemData

Smile

C1CC(C1)C(=O)N2CCN(CC2)CCNC(=O)C3(CC3)C4=CC(=CC=C4)Cl

DOS

IR

Vibrations