Geometry & MOs

Info

ID:	418763
PubChem CID:	135106718
Reduced:	FSO2N4C17H21 (1)
Stoich.:	ABC2D4E17F21 (1)
Weight, g/mol:	336.184921
ΔH_f, kcal/mol:	-68.43
Dipole, Da:	6.66
IP(EA), eV:	-9.49(-0.71)
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]-(4-fluoro-3-methoxyphenyl)methanone

Drug info:

PubChemData

Smile

COCC1=NN=C(S1)NC(=O)CN2CCCCC2C3=CC=C(C=C3)F

DOS

IR

Vibrations