Geometry & MOs

Info

ID:	196124
PubChem CID:	78785406
Reduced:	N3O5C14H19 (1)
Stoich.:	A3B5C14D19 (1)
Weight, g/mol:	305.088578
ΔH_f, kcal/mol:	-139.63
Dipole, Da:	3.79
IP(EA), eV:	-9.56(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-fluorophenoxy)-1-(2-thiophen-2-ylpyrrolidin-1-yl)ethanone

Drug info:

PubChemData

Smile

COC(=O)CCCCCNC(=O)C1=CC(=C(C=C1)N)[N+](=O)[O-]

DOS

IR

Vibrations