Geometry & MOs

Info

ID:	320247
PubChem CID:	126658971
Reduced:	FON3H18C23 (1)
Stoich.:	ABC3D18E23 (1)
Weight, g/mol:	601.283798
ΔH_f, kcal/mol:	20.54
Dipole, Da:	3.4
IP(EA), eV:	-9.27(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butoxy]-1-(2,2,3,5-tetramethylhexanoyl)-3,4-dihydroquinolin-2-one

Drug info:

PubChemData

Smile

C1C2=C(C=CC=N2)C(N1CC3=C(C=C(C=C3)C4=CC5=C(C=C4)C=NC=C5)F)O

DOS

IR

Vibrations