Geometry & MOs

Info

ID:	423484
PubChem CID:	135119581
Reduced:	FN2O3C20H25 (1)
Stoich.:	AB2C3D20E25 (1)
Weight, g/mol:	328.139862
ΔH_f, kcal/mol:	-146.42
Dipole, Da:	6.67
IP(EA), eV:	-9.02(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1S,5R)-9-methyl-3-oxa-7,9-diazabicyclo[3.3.2]decan-7-yl]-[3-(trifluoromethyl)phenyl]methanone

Drug info:

PubChemData

Smile

C1C[C@]2(COCC[C@@H]2N(C1)C(=O)NC3=CC(=CC=C3)F)C4=CCOCC4

DOS

IR

Vibrations