Geometry & MOs

Info

ID:	423047
PubChem CID:	135118838
Reduced:	FNO4C18H24 (1)
Stoich.:	ABC4D18E24 (1)
Weight, g/mol:	333.168856
ΔH_f, kcal/mol:	-230.57
Dipole, Da:	4.88
IP(EA), eV:	-9.85(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[[(1S,5R)-9-methyl-10-oxo-3-oxa-7,9-diazabicyclo[3.3.2]decan-7-yl]methyl]phenoxy]acetamide

Drug info:

PubChemData

Smile

CCC[C@@]1(CCN(C[C@@H]1O)C(=O)CCC2=CC(=CC=C2)F)C(=O)O

DOS

IR

Vibrations