Geometry & MOs

Info

ID:	265636
PubChem CID:	103535182
Reduced:	N3O3C11H17 (1)
Stoich.:	A3B3C11D17 (1)
Weight, g/mol:	251.132157
ΔH_f, kcal/mol:	-93.11
Dipole, Da:	4.41
IP(EA), eV:	-9.38(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-fluorophenyl)-3-(3-methoxypyrrolidin-1-yl)propan-1-one

Drug info:

PubChemData

Smile

CN1C(=C(C=N1)C(=O)O)CN2CCC(C2)OC

DOS

IR

Vibrations