Geometry & MOs

Info

ID:	311326
PubChem CID:	126590490
Reduced:	ClIN2C6H14 (1)
Stoich.:	ABC2D6E14 (1)
Weight, g/mol:	594.267605
ΔH_f, kcal/mol:	-10.62
Dipole, Da:	2.93
IP(EA), eV:	-9.2(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-[2-[3,4-bis[3-(dimethylamino)propoxy]phenyl]thieno[3,2-b]pyridin-7-yl]oxy-3-fluorophenyl]propanamide

Drug info:

PubChemData

Smile

CNC(CNCCCCl)I

DOS

IR

Vibrations