Geometry & MOs

Info

ID:	64703
PubChem CID:	29203879
Reduced:	FN3O4C19H24 (1)
Stoich.:	AB3C4D19E24 (1)
Weight, g/mol:	332.209993
ΔH_f, kcal/mol:	-126.51
Dipole, Da:	4.9
IP(EA), eV:	-9.13(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R)-N-(3-butoxypropyl)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide

Drug info:

PubChemData

Smile

C[C@@H]1CC(=O)[C@H]([C@@H]1C[N+](=O)[O-])CC(=O)N2CCN(CC2)C3=CC=CC=C3F

DOS

IR

Vibrations