Geometry & MOs

Info

ID:	327023
PubChem CID:	126688879
Reduced:	SF3N5O6H14C17 (1)
Stoich.:	AB3C5D6E14F17 (1)
Weight, g/mol:	288.220164
ΔH_f, kcal/mol:	-269.4
Dipole, Da:	6.36
IP(EA), eV:	-9.82(-1.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methyl-2-(3-phenylpropylamino)-1-pyrrolidin-1-ylbutan-1-one

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)C(F)(F)F)C2=C3C(=NC=N2)N(C=N3)[C@H]4[C@@H]([C@@]5([C@@H](C5OS(=O)(=O)N)O4)O)O

DOS

IR

Vibrations