Geometry & MOs

Info

ID:	50774
PubChem CID:	12013362
Reduced:	NPO3H28C31 (1)
Stoich.:	ABC3D28E31 (1)
Weight, g/mol:	481.136229
ΔH_f, kcal/mol:	-40.38
Dipole, Da:	2.22
IP(EA), eV:	-8.41(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-chloro-2-(1-diphenylphosphorylethyl)-3-(4-methylphenyl)quinoline

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C2=C(N=C3C=C(C(=CC3=C2)OC)OC)CP(=O)(C4=CC=CC=C4)C5=CC=CC=C5

DOS

IR

Vibrations