Geometry & MOs

Info

ID:	419931
PubChem CID:	135109824
Reduced:	NO2C9H13 (2)
Stoich.:	AB2C9D13 (2)
Weight, g/mol:	287.107005
ΔH_f, kcal/mol:	-178.92
Dipole, Da:	4.5
IP(EA), eV:	-8.78(0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-fluoro-2-[[methyl(1,2-oxazol-3-ylmethyl)amino]methyl]-1H-quinolin-4-one

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)NC(=O)CCNC(=O)[C@@H]2CC[C@@H]([C@@H](C2)OC)O

DOS

IR

Vibrations