Geometry & MOs

Info

ID:	351576
PubChem CID:	127280468
Reduced:	O2N5C21H27 (1)
Stoich.:	A2B5C21D27 (1)
Weight, g/mol:	398.243024
ΔH_f, kcal/mol:	-28.31
Dipole, Da:	6.25
IP(EA), eV:	-8.85(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-(6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carbonyl)piperazin-1-yl]-2-pyrrolidin-1-ylethanone

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C2=NNC(=C2)C(=O)N3CCN(CC3)C(=O)CN4CCCC4

DOS

IR

Vibrations