Geometry & MOs

Info

ID:	201491
PubChem CID:	79545449
Reduced:	NO3C15H19 (1)
Stoich.:	AB3C15D19 (1)
Weight, g/mol:	266.143056
ΔH_f, kcal/mol:	-99.81
Dipole, Da:	4.01
IP(EA), eV:	-9.56(0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-fluorophenyl)-2-(2-hydroxypropyl)pyrrolidine-1-carboxamide

Drug info:

PubChemData

Smile

C1CCN(C(C1)C2CCCC2=O)C(=O)C3=CC=CO3

DOS

IR

Vibrations