Geometry & MOs

Info

ID:	419306
PubChem CID:	135107960
Reduced:	ON3C20H27 (1)
Stoich.:	AB3C20D27 (1)
Weight, g/mol:	336.184921
ΔH_f, kcal/mol:	-13.89
Dipole, Da:	3.98
IP(EA), eV:	-8.36(-0.37)
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]-(5-fluoro-2-methoxyphenyl)methanone

Drug info:

PubChemData

Smile

CC1=CC(=NC2=CC=CC=C12)N3CC[C@]4(CCCN([C@@H]4C3)C)CO

DOS

IR

Vibrations