Geometry & MOs

Info

ID:	153418
PubChem CID:	56312611
Reduced:	FO2N3H26C27 (1)
Stoich.:	AB2C3D26E27 (1)
Weight, g/mol:	427.146283
ΔH_f, kcal/mol:	-20.16
Dipole, Da:	1.52
IP(EA), eV:	-9.06(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(5-chloroquinolin-8-yl)oxy-1-[4-[(2-fluorophenyl)methyl]-1,4-diazepan-1-yl]ethanone

Drug info:

PubChemData

Smile

C1CN(CCN(C1)C(=O)C2=CC(=CC=C2)OCC3=CC=CC=C3C#N)CC4=CC=CC=C4F

DOS

IR

Vibrations