Geometry & MOs

Info

ID:	197326
PubChem CID:	78952478
Reduced:	N3O3C13H19 (1)
Stoich.:	A3B3C13D19 (1)
Weight, g/mol:	262.111756
ΔH_f, kcal/mol:	-31.37
Dipole, Da:	5.84
IP(EA), eV:	-8.48(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-fluoro-4-(2-oxo-2-piperidin-1-ylethoxy)benzonitrile

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)[N+](=O)[O-])NCC2CN(CCO2)C

DOS

IR

Vibrations