Geometry & MOs

Info

ID:	417505
PubChem CID:	135096261
Reduced:	F3N4O4H15C16 (1)
Stoich.:	A3B4C4D15E16 (1)
Weight, g/mol:	339.194677
ΔH_f, kcal/mol:	-258.49
Dipole, Da:	7.97
IP(EA), eV:	-9.92(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2,8-dimethylquinolin-3-yl)-[(1S,5R)-9-methyl-3-oxa-7,9-diazabicyclo[3.3.2]decan-7-yl]methanone

Drug info:

PubChemData

Smile

C1C(CN2C(=CC(=N2)C(=O)NCC3=CC=CC=C3OC(F)(F)F)C(=O)N1)O

DOS

IR

Vibrations