Geometry & MOs

Info

ID:	415557
PubChem CID:	135088553
Reduced:	FN3O5C17H20 (1)
Stoich.:	AB3C5D17E20 (1)
Weight, g/mol:	308.153621
ΔH_f, kcal/mol:	-164.15
Dipole, Da:	5.52
IP(EA), eV:	-9.22(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-fluoro-4-methoxyphenyl)-[(1S,5S)-7-methyl-3-oxa-7,9-diazabicyclo[3.3.2]decan-9-yl]methanone

Drug info:

PubChemData

Smile

COC1=C(C=CC(=C1)C2=C(C(=NO2)NCCN3CCOCC3)C(=O)O)F

DOS

IR

Vibrations