Geometry & MOs

Info

ID:	351568
PubChem CID:	127280460
Reduced:	O3N5C21H25 (1)
Stoich.:	A3B5C21D25 (1)
Weight, g/mol:	384.227374
ΔH_f, kcal/mol:	-47.54
Dipole, Da:	5.59
IP(EA), eV:	-9.24(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-pyrrolidin-1-yl-1-[4-(1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carbonyl)piperazin-1-yl]ethanone

Drug info:

PubChemData

Smile

C1CCN(C1)CC(=O)N2CCN(CC2)C(=O)C3=NN(C(=O)C=C3)C4=CC=CC=C4

DOS

IR

Vibrations