Geometry & MOs

Info

ID:	418555
PubChem CID:	135105761
Reduced:	NF2O2C19H25 (1)
Stoich.:	AB2C2D19E25 (1)
Weight, g/mol:	318.157957
ΔH_f, kcal/mol:	-188.39
Dipole, Da:	2.92
IP(EA), eV:	-9.34(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CO[C@@H]1CCC[C@@]12CCCN(C2)C(=O)CCC3=C(C=C(C=C3)F)F

DOS

IR

Vibrations