Geometry & MOs

Info

ID:	423923
PubChem CID:	135120761
Reduced:	FN2O4C18H23 (1)
Stoich.:	AB2C4D18E23 (1)
Weight, g/mol:	390.141342
ΔH_f, kcal/mol:	-188.34
Dipole, Da:	6.02
IP(EA), eV:	-9.47(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1S,5R)-9-[(2-fluoro-6-methoxyphenyl)methyl]-3-oxa-7,9-diazabicyclo[3.3.2]decan-7-yl]-thiophen-2-ylmethanone

Drug info:

PubChemData

Smile

CN1CCC[C@]2([C@H]1CN(CC2)C(=O)COC3=CC(=CC=C3)F)C(=O)O

DOS

IR

Vibrations