Geometry & MOs

Info

ID:	364948
PubChem CID:	127316598
Reduced:	O2N6C19H26 (1)
Stoich.:	A2B6C19D26 (1)
Weight, g/mol:	327.20591
ΔH_f, kcal/mol:	11.51
Dipole, Da:	5.03
IP(EA), eV:	-8.59(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-cyclobutylpiperazin-1-yl)-(1,3,6-trimethylpyrazolo[3,4-b]pyridin-4-yl)methanone

Drug info:

PubChemData

Smile

CCOC1=NN=C(C=C1)N2C(=C(C=N2)C(=O)N3CCN(CC3)C4CCC4)C

DOS

IR

Vibrations