Geometry & MOs

Info

ID:	414301
PubChem CID:	135087257
Reduced:	FNO3C15H20 (1)
Stoich.:	ABC3D15E20 (1)
Weight, g/mol:	318.157957
ΔH_f, kcal/mol:	-173.08
Dipole, Da:	4.57
IP(EA), eV:	-10.0(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,3-dihydro-1,4-benzodioxin-5-yl-[(1S,5S)-7-methyl-3-oxa-7,9-diazabicyclo[3.3.2]decan-9-yl]methanone

Drug info:

PubChemData

Smile

CO[C@@H]1C[C@@H](CC[C@@H]1O)C(=O)NCC2=CC(=CC=C2)F

DOS

IR

Vibrations