Geometry & MOs

Info

ID:	416568
PubChem CID:	135089693
Reduced:	FON4C17H23 (1)
Stoich.:	ABC4D17E23 (1)
Weight, g/mol:	292.158706
ΔH_f, kcal/mol:	-50.72
Dipole, Da:	5.93
IP(EA), eV:	-8.99(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCC1=NNC(=C1)CN(C)CC(=O)NC2=C(C=C(C=C2)F)C

DOS

IR

Vibrations