Geometry & MOs

Info

ID:	328081
PubChem CID:	126691998
Reduced:	F2N3O5H27C29 (1)
Stoich.:	A2B3C5D27E29 (1)
Weight, g/mol:	190.110613
ΔH_f, kcal/mol:	-204.39
Dipole, Da:	2.99
IP(EA), eV:	-8.68(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-amino-1,6-dimethyl-3,4-dihydroquinolin-2-one

Drug info:

PubChemData

Smile

C[C@H]1[C@H](OC(=O)N1CC2=C(C=CC(=N2)N3CCC3)C4=C(C=CC(=C4)[C@@H]5CC5C(=O)O)O)C6=CC(=CC(=C6)F)F

DOS

IR

Vibrations