Geometry & MOs

Info

ID:	170723
PubChem CID:	75271462
Reduced:	ClFO2N3H17C20 (1)
Stoich.:	ABC2D3E17F20 (1)
Weight, g/mol:	365.153955
ΔH_f, kcal/mol:	-65.32
Dipole, Da:	2.0
IP(EA), eV:	-9.1(-1.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(8-fluoro-10-oxo-1,3,4,10a-tetrahydrobenzo[b][1,6]naphthyridin-2-yl)-N-(4-methylphenyl)acetamide

Drug info:

PubChemData

Smile

C1CN(CC2C1=NC3=C(C2=O)C=C(C=C3)F)CC(=O)NC4=CC=CC=C4Cl

DOS

IR

Vibrations