Geometry & MOs

Info

ID:	177680
PubChem CID:	76213838
Reduced:	FN3O3C33H36 (1)
Stoich.:	AB3C3D33E36 (1)
Weight, g/mol:	314.124212
ΔH_f, kcal/mol:	-110.25
Dipole, Da:	4.41
IP(EA), eV:	-8.34(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-hydroxy-3-[2-(trifluoromethyl)phenyl]-3,4,4a,5,6,7,8,8a-octahydro-1H-1,5-naphthyridin-2-one

Drug info:

PubChemData

Smile

CCCCC(=O)CC1CN(CCN1)C(=O)C2=C(C(=C3N2C=CC(=C3)O)C4=CC=CC=C4)CC5=C(C(=CC=C5)F)C

DOS

IR

Vibrations