Geometry & MOs

Info

ID:	47114
PubChem CID:	10529703
Reduced:	N6O6C25H30 (1)
Stoich.:	A6B6C25D30 (1)
Weight, g/mol:	510.195486
ΔH_f, kcal/mol:	-194.98
Dipole, Da:	4.61
IP(EA), eV:	-8.44(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[cyclohexyl-[4-[(6-fluoroquinolin-2-yl)methoxy]phenyl]methoxy]isoindole-1,3-dione

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)NC1=CN(C(=C1)C(=O)NC2=CN(C(=C2)C(=O)NC3=CN(C(=C3)/C=C/C(=O)O)C)C)C

DOS

IR

Vibrations