Geometry & MOs

Info

ID:	431414
PubChem CID:	135171489
Reduced:	FN3O3C20H20 (1)
Stoich.:	AB3C3D20E20 (1)
Weight, g/mol:	210.055991
ΔH_f, kcal/mol:	-91.73
Dipole, Da:	6.59
IP(EA), eV:	-9.18(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-chloro-3,6-dimethyl-7,8-dihydro-1,6-naphthyridin-5-one

Drug info:

PubChemData

Smile

CC1=CC(=C(N=C1N2CCC(CC2)OC3=CC=CC(=C3)C#N)F)C(=O)OC

DOS

IR

Vibrations