Geometry & MOs

Info

ID:	126958
PubChem CID:	50985450
Reduced:	NO2C11H12 (2)
Stoich.:	AB2C11D12 (2)
Weight, g/mol:	318.174356
ΔH_f, kcal/mol:	-92.04
Dipole, Da:	2.87
IP(EA), eV:	-8.62(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-[4-(4-fluorophenyl)butanoyl]-2,8-diazaspiro[4.5]decan-3-one

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1OC)C2=C(N=CN2CCCC(=O)OC)C3=CC=CC=C3

DOS

IR

Vibrations