Geometry & MOs

Info

ID:	74782
PubChem CID:	48422458
Reduced:	N2O4C17H24 (1)
Stoich.:	A2B4C17D24 (1)
Weight, g/mol:	291.163457
ΔH_f, kcal/mol:	-132.25
Dipole, Da:	5.27
IP(EA), eV:	-9.63(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(cyclopropylmethoxy)-1-[2-(4-fluorophenyl)pyrrolidin-1-yl]propan-1-one

Drug info:

PubChemData

Smile

CC(C(=O)NC1CCN(CC1)C(=O)C2=CC=CO2)OCC3CC3

DOS

IR

Vibrations