Geometry & MOs

Info

ID:	423825
PubChem CID:	135120377
Reduced:	FN4O4C19H23 (1)
Stoich.:	AB4C4D19E23 (1)
Weight, g/mol:	285.147727
ΔH_f, kcal/mol:	-131.05
Dipole, Da:	6.45
IP(EA), eV:	-8.87(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(=O)N[C@H]1CCN(C1)C(=O)C2=C(ON=C2N(C)C)C3=CC(=C(C=C3)F)OC

DOS

IR

Vibrations