Geometry & MOs

Info

ID:	319939
PubChem CID:	126657635
Reduced:	O4C23H24 (1)
Stoich.:	A4B23C24 (1)
Weight, g/mol:	552.10625
ΔH_f, kcal/mol:	-21.08
Dipole, Da:	1.52
IP(EA), eV:	-8.94(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3,5-dimethylphenyl)-3-(3-iodo-5-methylphenyl)-5-(4-phenylphenyl)pyrazine

Drug info:

PubChemData

Smile

CC(CC(C)O)COC(=O)OC1CC2=CC=CC=C2C#CC3=CC=CC=C13

DOS

IR

Vibrations