Geometry & MOs

Info

ID:	178904
PubChem CID:	76399884
Reduced:	N3O3C22H27 (1)
Stoich.:	A3B3C22D27 (1)
Weight, g/mol:	388.227454
ΔH_f, kcal/mol:	-45.15
Dipole, Da:	2.87
IP(EA), eV:	-8.64(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[3-(3-fluorophenyl)-1,2,3,3a,4,6,7,7a-octahydropyrazolo[4,3-c]pyridine-5-carbonyl]-1-(2-methylpropyl)pyrrolidin-2-one

Drug info:

PubChemData

Smile

CC(C(=O)N1CCC2C(C1)C(NN2)C3=CC=CC=C3)OC4=CC=CC=C4OC

DOS

IR

Vibrations