Geometry & MOs

Info

ID:	187360
PubChem CID:	77563646
Reduced:	F2O2N4C31H32 (1)
Stoich.:	A2B2C4D31E32 (1)
Weight, g/mol:	436.236208
ΔH_f, kcal/mol:	-63.49
Dipole, Da:	5.1
IP(EA), eV:	-8.04(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

acetic acid;5-[2-[(5,6-diethyl-2,3-dihydro-1H-inden-2-yl)amino]ethyl]-8-hydroxy-4aH-quinolin-2-one

Drug info:

PubChemData

Smile

CCCCC1=NC(N(C=C1CC2=CC=C(C=C2)C3=CC=CC=C3C4NC(=O)ON4)CC5=C(C=CC=C5F)F)C

DOS

IR

Vibrations