Geometry & MOs

Info

ID:	422484
PubChem CID:	135117913
Reduced:	O2N5C20H27 (1)
Stoich.:	A2B5C20D27 (1)
Weight, g/mol:	371.200905
ΔH_f, kcal/mol:	-14.5
Dipole, Da:	6.08
IP(EA), eV:	-8.78(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(4aS,8aS)-4a-(hydroxymethyl)-1-methyl-3,4,5,6,8,8a-hexahydro-2H-1,7-naphthyridin-7-yl]-(6-fluoro-2-methylquinolin-4-yl)methanone

Drug info:

PubChemData

Smile

C1CCN(CC1)C(=O)C2=CC(=NC=C2)NCCC3=NOC(=N3)C4CCCC4

DOS

IR

Vibrations