Geometry & MOs

Info

ID:	378018
PubChem CID:	134224086
Reduced:	N2Cl3O3H15C23 (1)
Stoich.:	A2B3C3D15E23 (1)
Weight, g/mol:	541.215412
ΔH_f, kcal/mol:	-10.34
Dipole, Da:	1.89
IP(EA), eV:	-9.0(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]-8-phenylmethoxyquinoline

Drug info:

PubChemData

Smile

CON=C(C1=CC=C(C=C1)Cl)C2=C(N(C3=C2C=CC(=C3)Cl)C4=CC=C(C=C4)Cl)C(=O)O

DOS

IR

Vibrations