Geometry & MOs

Info

ID:	364919
PubChem CID:	127316565
Reduced:	O2N5C20H29 (1)
Stoich.:	A2B5C20D29 (1)
Weight, g/mol:	385.247775
ΔH_f, kcal/mol:	-29.73
Dipole, Da:	8.09
IP(EA), eV:	-8.47(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-cyclobutylpiperazin-1-yl)-3-(3-methoxy-1,4,6-trimethylpyrazolo[3,4-b]pyridin-5-yl)propan-1-one

Drug info:

PubChemData

Smile

CC1=C(C(=O)N=C2C1=C(NN2C)C)CCC(=O)N3CCN(CC3)C4CCC4

DOS

IR

Vibrations