Geometry & MOs

Info

ID:	423257
PubChem CID:	135119191
Reduced:	ON3C24H27 (1)
Stoich.:	AB3C24D27 (1)
Weight, g/mol:	290.143056
ΔH_f, kcal/mol:	-4.55
Dipole, Da:	3.73
IP(EA), eV:	-8.39(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-fluoro-2-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]-1H-quinolin-4-one

Drug info:

PubChemData

Smile

CC1=C(C2=C(C=C1)C(=CC(=N2)NCC3=CC=CC=C3CN4CCCC4=O)C)C

DOS

IR

Vibrations