Geometry & MOs

Info

ID:	419163
PubChem CID:	135107664
Reduced:	ON4C17H28 (1)
Stoich.:	AB4C17D28 (1)
Weight, g/mol:	278.143056
ΔH_f, kcal/mol:	-46.69
Dipole, Da:	4.75
IP(EA), eV:	-8.53(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,5R)-7-[(2-fluoro-3-methylphenyl)methyl]-3-oxa-7,9-diazabicyclo[3.3.2]decan-10-one

Drug info:

PubChemData

Smile

CC1=CC(=C(N=C1C)N(C)CC2CCN(C2(C)C)C)C(=O)N

DOS

IR

Vibrations