Geometry & MOs

Info

ID:	422191
PubChem CID:	135117366
Reduced:	FN3O4C18H22 (1)
Stoich.:	AB3C4D18E22 (1)
Weight, g/mol:	336.184921
ΔH_f, kcal/mol:	-132.86
Dipole, Da:	2.24
IP(EA), eV:	-8.89(-1.4)
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]-(3-fluoro-2-methoxyphenyl)methanone

Drug info:

PubChemData

Smile

CCN1CCC[C@H]1CNC2=NOC(=C2C(=O)O)C3=CC(=C(C=C3)F)OC

DOS

IR

Vibrations